USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 103 THR OG1 : rot -34:sc= -1.91! USER MOD Set 1.2: A 106 GLN : amide:sc= -1.47 K(o=-3.4,f=-17!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.119 (180deg=-0.443) USER MOD Single : A 41 GLN : amide:sc=-0.00373 K(o=-0.0037,f=-0.87) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -17:sc= 0.573 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= -0.378 (180deg=-1.06) USER MOD Single : A 78 GLN : amide:sc=-0.00261 X(o=-0.0026,f=-0.0026) USER MOD Single : A 80 HIS : no HD1:sc= -0.0969 X(o=-0.097,f=-0.025) USER MOD Single : A 84 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.6!) USER MOD Single : A 86 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 93 HIS : no HD1:sc= -0.535 K(o=-0.54,f=0.037) USER MOD Single : A 95 HIS : no HE2:sc= -0.451 K(o=-0.45,f=-2.8) USER MOD Single : A 99 GLN : amide:sc= -1.89 K(o=-1.9,f=-8.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -160:sc= 0 USER MOD Single : A 108 THR OG1 : rot 101:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -10.074 7.862 -3.568 1.00 0.00 N ATOM 428 CA SER A 31 -11.345 7.417 -3.007 1.00 0.00 C ATOM 429 C SER A 31 -11.168 6.127 -2.215 1.00 0.00 C ATOM 430 O SER A 31 -10.098 5.517 -2.234 1.00 0.00 O ATOM 431 CB SER A 31 -12.372 7.209 -4.121 1.00 0.00 C ATOM 432 OG SER A 31 -12.774 8.446 -4.683 1.00 0.00 O ATOM 0 HA SER A 31 -11.706 8.191 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.946 6.574 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.242 6.687 -3.724 1.00 0.00 H new ATOM 0 HG SER A 31 -13.429 8.285 -5.394 1.00 0.00 H new ATOM 438 N ALA A 32 -12.223 5.716 -1.518 1.00 0.00 N ATOM 439 CA ALA A 32 -12.183 4.498 -0.718 1.00 0.00 C ATOM 440 C ALA A 32 -12.108 3.260 -1.606 1.00 0.00 C ATOM 441 O ALA A 32 -11.217 2.425 -1.450 1.00 0.00 O ATOM 442 CB ALA A 32 -13.400 4.424 0.191 1.00 0.00 C ATOM 0 H ALA A 32 -13.116 6.209 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.284 4.527 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.357 3.510 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.410 5.287 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.307 4.423 -0.414 1.00 0.00 H new ATOM 448 N ASP A 33 -13.049 3.149 -2.538 1.00 0.00 N ATOM 449 CA ASP A 33 -13.091 2.013 -3.452 1.00 0.00 C ATOM 450 C ASP A 33 -11.809 1.928 -4.276 1.00 0.00 C ATOM 451 O ASP A 33 -11.384 0.843 -4.671 1.00 0.00 O ATOM 452 CB ASP A 33 -14.302 2.123 -4.380 1.00 0.00 C ATOM 453 CG ASP A 33 -14.594 0.824 -5.106 1.00 0.00 C ATOM 454 OD1 ASP A 33 -14.189 -0.243 -4.599 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.228 0.874 -6.181 1.00 0.00 O ATOM 0 H ASP A 33 -13.793 3.832 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.179 1.104 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.176 2.416 -3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.126 2.913 -5.110 1.00 0.00 H new ATOM 460 N TYR A 34 -11.200 3.081 -4.533 1.00 0.00 N ATOM 461 CA TYR A 34 -9.967 3.137 -5.311 1.00 0.00 C ATOM 462 C TYR A 34 -8.866 2.311 -4.652 1.00 0.00 C ATOM 463 O TYR A 34 -8.313 1.397 -5.261 1.00 0.00 O ATOM 464 CB TYR A 34 -9.506 4.586 -5.471 1.00 0.00 C ATOM 465 CG TYR A 34 -8.321 4.748 -6.396 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.366 4.278 -7.702 1.00 0.00 C ATOM 467 CD2 TYR A 34 -7.155 5.369 -5.962 1.00 0.00 C ATOM 468 CE1 TYR A 34 -7.284 4.424 -8.550 1.00 0.00 C ATOM 469 CE2 TYR A 34 -6.070 5.518 -6.803 1.00 0.00 C ATOM 470 CZ TYR A 34 -6.139 5.044 -8.096 1.00 0.00 C ATOM 471 OH TYR A 34 -5.060 5.190 -8.938 1.00 0.00 O ATOM 0 H TYR A 34 -11.540 3.989 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.171 2.716 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.336 5.182 -5.850 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.248 4.986 -4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.260 3.791 -8.061 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.097 5.741 -4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.335 4.054 -9.563 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.172 6.003 -6.450 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.335 5.648 -8.464 1.00 0.00 H new ATOM 481 N LEU A 35 -8.554 2.640 -3.403 1.00 0.00 N ATOM 482 CA LEU A 35 -7.519 1.930 -2.660 1.00 0.00 C ATOM 483 C LEU A 35 -7.930 0.484 -2.400 1.00 0.00 C ATOM 484 O LEU A 35 -7.085 -0.408 -2.327 1.00 0.00 O ATOM 485 CB LEU A 35 -7.235 2.639 -1.334 1.00 0.00 C ATOM 486 CG LEU A 35 -6.884 4.122 -1.454 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.824 4.770 -0.080 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.562 4.297 -2.186 1.00 0.00 C ATOM 0 H LEU A 35 -9.003 3.394 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.611 1.927 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.110 2.539 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.413 2.126 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.666 4.616 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.573 5.825 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.793 4.675 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.063 4.275 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.327 5.358 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.771 3.789 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.640 3.869 -3.185 1.00 0.00 H new ATOM 500 N ARG A 36 -9.232 0.261 -2.260 1.00 0.00 N ATOM 501 CA ARG A 36 -9.756 -1.077 -2.006 1.00 0.00 C ATOM 502 C ARG A 36 -9.561 -1.978 -3.221 1.00 0.00 C ATOM 503 O ARG A 36 -8.978 -3.058 -3.119 1.00 0.00 O ATOM 504 CB ARG A 36 -11.240 -1.006 -1.641 1.00 0.00 C ATOM 505 CG ARG A 36 -11.741 -2.231 -0.896 1.00 0.00 C ATOM 506 CD ARG A 36 -13.237 -2.423 -1.084 1.00 0.00 C ATOM 507 NE ARG A 36 -13.537 -3.399 -2.130 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.719 -3.498 -2.735 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.714 -2.685 -2.401 1.00 0.00 N ATOM 510 NH2 ARG A 36 -14.906 -4.412 -3.677 1.00 0.00 N ATOM 0 H ARG A 36 -9.944 0.989 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.203 -1.503 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.413 -0.122 -1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.824 -0.881 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.212 -3.116 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.517 -2.130 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.681 -2.751 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.696 -1.467 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.797 -4.042 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.575 -1.980 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.617 -2.766 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.145 -5.039 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.811 -4.488 -4.141 1.00 0.00 H new ATOM 524 N GLU A 37 -10.054 -1.528 -4.371 1.00 0.00 N ATOM 525 CA GLU A 37 -9.935 -2.294 -5.605 1.00 0.00 C ATOM 526 C GLU A 37 -8.472 -2.548 -5.954 1.00 0.00 C ATOM 527 O GLU A 37 -8.136 -3.565 -6.561 1.00 0.00 O ATOM 528 CB GLU A 37 -10.625 -1.557 -6.755 1.00 0.00 C ATOM 529 CG GLU A 37 -12.141 -1.554 -6.654 1.00 0.00 C ATOM 530 CD GLU A 37 -12.802 -0.854 -7.825 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.252 0.165 -8.294 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.868 -1.325 -8.274 1.00 0.00 O ATOM 0 H GLU A 37 -10.539 -0.637 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.423 -3.256 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.269 -0.527 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.333 -2.019 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.500 -2.582 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.439 -1.064 -5.727 1.00 0.00 H new ATOM 539 N LYS A 38 -7.606 -1.618 -5.567 1.00 0.00 N ATOM 540 CA LYS A 38 -6.178 -1.742 -5.839 1.00 0.00 C ATOM 541 C LYS A 38 -5.560 -2.866 -5.014 1.00 0.00 C ATOM 542 O LYS A 38 -4.994 -3.812 -5.561 1.00 0.00 O ATOM 543 CB LYS A 38 -5.464 -0.423 -5.541 1.00 0.00 C ATOM 544 CG LYS A 38 -4.143 -0.267 -6.277 1.00 0.00 C ATOM 545 CD LYS A 38 -3.662 1.176 -6.256 1.00 0.00 C ATOM 546 CE LYS A 38 -2.325 1.325 -6.964 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.315 0.638 -8.285 1.00 0.00 N ATOM 0 H LYS A 38 -7.867 -0.770 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.056 -1.983 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.120 0.405 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.284 -0.351 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.391 -0.909 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.259 -0.598 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.403 1.815 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.569 1.515 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.105 2.383 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.534 0.915 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.510 0.979 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.227 -0.388 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.201 0.843 -8.790 1.00 0.00 H new ATOM 561 N LEU A 39 -5.673 -2.756 -3.693 1.00 0.00 N ATOM 562 CA LEU A 39 -5.124 -3.763 -2.793 1.00 0.00 C ATOM 563 C LEU A 39 -5.724 -5.136 -3.077 1.00 0.00 C ATOM 564 O LEU A 39 -5.062 -6.161 -2.913 1.00 0.00 O ATOM 565 CB LEU A 39 -5.386 -3.371 -1.337 1.00 0.00 C ATOM 566 CG LEU A 39 -4.815 -2.015 -0.918 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.338 -1.615 0.452 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.294 -2.054 -0.921 1.00 0.00 C ATOM 0 H LEU A 39 -6.140 -1.980 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.048 -3.816 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.463 -3.363 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.967 -4.140 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.141 -1.266 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.921 -0.648 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.425 -1.546 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.044 -2.364 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.905 -1.081 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.948 -2.815 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.938 -2.294 -1.923 1.00 0.00 H new ATOM 580 N ARG A 40 -6.982 -5.149 -3.504 1.00 0.00 N ATOM 581 CA ARG A 40 -7.673 -6.395 -3.813 1.00 0.00 C ATOM 582 C ARG A 40 -6.955 -7.159 -4.911 1.00 0.00 C ATOM 583 O ARG A 40 -6.632 -8.337 -4.753 1.00 0.00 O ATOM 584 CB ARG A 40 -9.119 -6.115 -4.228 1.00 0.00 C ATOM 585 CG ARG A 40 -10.029 -7.327 -4.118 1.00 0.00 C ATOM 586 CD ARG A 40 -11.439 -7.009 -4.589 1.00 0.00 C ATOM 587 NE ARG A 40 -11.554 -7.060 -6.045 1.00 0.00 N ATOM 588 CZ ARG A 40 -11.489 -8.185 -6.755 1.00 0.00 C ATOM 589 NH1 ARG A 40 -11.310 -9.351 -6.148 1.00 0.00 N ATOM 590 NH2 ARG A 40 -11.604 -8.141 -8.075 1.00 0.00 N ATOM 0 H ARG A 40 -7.544 -4.310 -3.644 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.675 -7.010 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.518 -5.314 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.130 -5.755 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.621 -8.145 -4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.058 -7.669 -3.083 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.138 -7.718 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.724 -6.017 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.692 -6.183 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.221 -9.389 -5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.261 -10.209 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.742 -7.247 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.554 -9.002 -8.620 1.00 0.00 H new ATOM 604 N GLN A 41 -6.712 -6.488 -6.022 1.00 0.00 N ATOM 605 CA GLN A 41 -6.036 -7.113 -7.144 1.00 0.00 C ATOM 606 C GLN A 41 -4.541 -7.257 -6.872 1.00 0.00 C ATOM 607 O GLN A 41 -3.905 -8.205 -7.334 1.00 0.00 O ATOM 608 CB GLN A 41 -6.263 -6.308 -8.424 1.00 0.00 C ATOM 609 CG GLN A 41 -5.763 -4.876 -8.338 1.00 0.00 C ATOM 610 CD GLN A 41 -5.994 -4.100 -9.620 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.532 -4.630 -10.592 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.588 -2.836 -9.627 1.00 0.00 N ATOM 0 H GLN A 41 -6.972 -5.513 -6.171 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.458 -8.109 -7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.763 -6.810 -9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.329 -6.299 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.266 -4.368 -7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.698 -4.880 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.147 -2.438 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.718 -2.263 -10.461 1.00 0.00 H new ATOM 621 N ASP A 42 -3.988 -6.312 -6.120 1.00 0.00 N ATOM 622 CA ASP A 42 -2.567 -6.334 -5.789 1.00 0.00 C ATOM 623 C ASP A 42 -2.199 -7.617 -5.050 1.00 0.00 C ATOM 624 O ASP A 42 -1.273 -8.326 -5.441 1.00 0.00 O ATOM 625 CB ASP A 42 -2.202 -5.118 -4.936 1.00 0.00 C ATOM 626 CG ASP A 42 -0.752 -4.708 -5.104 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.433 -4.063 -6.125 1.00 0.00 O ATOM 628 OD2 ASP A 42 0.063 -5.032 -4.215 1.00 0.00 O ATOM 0 H ASP A 42 -4.501 -5.522 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.002 -6.299 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.847 -4.282 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.394 -5.343 -3.887 1.00 0.00 H new ATOM 633 N LEU A 43 -2.932 -7.908 -3.980 1.00 0.00 N ATOM 634 CA LEU A 43 -2.683 -9.105 -3.186 1.00 0.00 C ATOM 635 C LEU A 43 -3.637 -10.237 -3.570 1.00 0.00 C ATOM 636 O LEU A 43 -3.493 -11.364 -3.098 1.00 0.00 O ATOM 637 CB LEU A 43 -2.826 -8.790 -1.695 1.00 0.00 C ATOM 638 CG LEU A 43 -1.823 -7.772 -1.151 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.213 -7.339 0.255 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.417 -8.352 -1.160 1.00 0.00 C ATOM 0 H LEU A 43 -3.703 -7.331 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.664 -9.434 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.834 -8.418 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.722 -9.717 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.837 -6.895 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.488 -6.615 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.203 -6.884 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.227 -8.208 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.284 -7.614 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.388 -9.245 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.138 -8.613 -2.181 1.00 0.00 H new ATOM 652 N GLU A 44 -4.611 -9.934 -4.426 1.00 0.00 N ATOM 653 CA GLU A 44 -5.579 -10.933 -4.863 1.00 0.00 C ATOM 654 C GLU A 44 -6.334 -11.515 -3.670 1.00 0.00 C ATOM 655 O GLU A 44 -6.673 -12.698 -3.653 1.00 0.00 O ATOM 656 CB GLU A 44 -4.873 -12.052 -5.633 1.00 0.00 C ATOM 657 CG GLU A 44 -4.884 -11.852 -7.140 1.00 0.00 C ATOM 658 CD GLU A 44 -5.136 -13.142 -7.897 1.00 0.00 C ATOM 659 OE1 GLU A 44 -4.256 -14.027 -7.871 1.00 0.00 O ATOM 660 OE2 GLU A 44 -6.214 -13.266 -8.516 1.00 0.00 O ATOM 0 H GLU A 44 -4.749 -9.007 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.298 -10.446 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.840 -12.122 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.352 -13.002 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.654 -11.126 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.929 -11.431 -7.454 1.00 0.00 H new ATOM 667 N ALA A 45 -6.588 -10.673 -2.674 1.00 0.00 N ATOM 668 CA ALA A 45 -7.299 -11.101 -1.475 1.00 0.00 C ATOM 669 C ALA A 45 -8.682 -11.645 -1.818 1.00 0.00 C ATOM 670 O ALA A 45 -9.181 -11.450 -2.926 1.00 0.00 O ATOM 671 CB ALA A 45 -7.414 -9.947 -0.491 1.00 0.00 C ATOM 0 H ALA A 45 -6.312 -9.691 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.727 -11.905 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.947 -10.280 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.417 -9.607 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.961 -9.126 -0.955 1.00 0.00 H new ATOM 677 N GLU A 46 -9.297 -12.328 -0.857 1.00 0.00 N ATOM 678 CA GLU A 46 -10.623 -12.902 -1.055 1.00 0.00 C ATOM 679 C GLU A 46 -11.708 -11.859 -0.803 1.00 0.00 C ATOM 680 O GLU A 46 -12.469 -11.511 -1.706 1.00 0.00 O ATOM 681 CB GLU A 46 -10.826 -14.100 -0.126 1.00 0.00 C ATOM 682 CG GLU A 46 -11.804 -15.129 -0.666 1.00 0.00 C ATOM 683 CD GLU A 46 -11.479 -16.539 -0.213 1.00 0.00 C ATOM 684 OE1 GLU A 46 -10.321 -16.780 0.190 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.381 -17.401 -0.258 1.00 0.00 O ATOM 0 H GLU A 46 -8.898 -12.497 0.066 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.698 -13.237 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.864 -14.582 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.183 -13.744 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.812 -14.871 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.800 -15.092 -1.755 1.00 0.00 H new ATOM 692 N HIS A 47 -11.772 -11.365 0.429 1.00 0.00 N ATOM 693 CA HIS A 47 -12.763 -10.363 0.800 1.00 0.00 C ATOM 694 C HIS A 47 -12.088 -9.116 1.366 1.00 0.00 C ATOM 695 O HIS A 47 -11.078 -9.207 2.062 1.00 0.00 O ATOM 696 CB HIS A 47 -13.743 -10.939 1.825 1.00 0.00 C ATOM 697 CG HIS A 47 -15.178 -10.818 1.413 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.745 -11.593 0.423 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.165 -10.007 1.864 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.016 -11.263 0.281 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.295 -10.303 1.144 1.00 0.00 N ATOM 0 H HIS A 47 -11.149 -11.643 1.187 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.313 -10.081 -0.098 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.508 -11.991 1.990 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.602 -10.428 2.777 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.079 -9.266 2.645 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.709 -11.703 -0.421 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.204 -9.854 1.257 1.00 0.00 H new ATOM 710 N VAL A 48 -12.654 -7.952 1.060 1.00 0.00 N ATOM 711 CA VAL A 48 -12.105 -6.689 1.537 1.00 0.00 C ATOM 712 C VAL A 48 -13.212 -5.677 1.813 1.00 0.00 C ATOM 713 O VAL A 48 -14.317 -5.790 1.279 1.00 0.00 O ATOM 714 CB VAL A 48 -11.117 -6.086 0.522 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.892 -6.974 0.377 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.795 -5.877 -0.824 1.00 0.00 C ATOM 0 H VAL A 48 -13.491 -7.858 0.485 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.575 -6.906 2.464 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.791 -5.115 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.205 -6.531 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.394 -7.067 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.197 -7.961 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.081 -5.450 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.152 -6.834 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.638 -5.197 -0.705 1.00 0.00 H new ATOM 726 N GLU A 49 -12.909 -4.689 2.648 1.00 0.00 N ATOM 727 CA GLU A 49 -13.879 -3.657 2.995 1.00 0.00 C ATOM 728 C GLU A 49 -13.181 -2.338 3.306 1.00 0.00 C ATOM 729 O GLU A 49 -12.348 -2.263 4.210 1.00 0.00 O ATOM 730 CB GLU A 49 -14.719 -4.098 4.194 1.00 0.00 C ATOM 731 CG GLU A 49 -16.164 -3.631 4.131 1.00 0.00 C ATOM 732 CD GLU A 49 -17.100 -4.517 4.929 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.946 -5.755 4.861 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.986 -3.975 5.620 1.00 0.00 O ATOM 0 H GLU A 49 -12.000 -4.581 3.097 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.535 -3.507 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.700 -5.186 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.262 -3.716 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.228 -2.610 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.490 -3.609 3.091 1.00 0.00 H new ATOM 741 N VAL A 50 -13.524 -1.299 2.552 1.00 0.00 N ATOM 742 CA VAL A 50 -12.929 0.017 2.747 1.00 0.00 C ATOM 743 C VAL A 50 -13.909 0.966 3.433 1.00 0.00 C ATOM 744 O VAL A 50 -15.120 0.756 3.396 1.00 0.00 O ATOM 745 CB VAL A 50 -12.477 0.634 1.408 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.665 0.823 0.476 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.758 1.954 1.641 1.00 0.00 C ATOM 0 H VAL A 50 -14.212 -1.343 1.800 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.056 -0.120 3.385 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.778 -0.054 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.325 1.259 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.131 -0.143 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.392 1.488 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.447 2.373 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.430 2.651 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.881 1.785 2.265 1.00 0.00 H new ATOM 757 N GLU A 51 -13.373 2.011 4.057 1.00 0.00 N ATOM 758 CA GLU A 51 -14.199 2.992 4.750 1.00 0.00 C ATOM 759 C GLU A 51 -13.648 4.400 4.558 1.00 0.00 C ATOM 760 O GLU A 51 -12.528 4.581 4.081 1.00 0.00 O ATOM 761 CB GLU A 51 -14.280 2.661 6.241 1.00 0.00 C ATOM 762 CG GLU A 51 -15.462 3.305 6.945 1.00 0.00 C ATOM 763 CD GLU A 51 -16.100 2.388 7.970 1.00 0.00 C ATOM 764 OE1 GLU A 51 -15.368 1.586 8.586 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.332 2.474 8.158 1.00 0.00 O ATOM 0 H GLU A 51 -12.371 2.199 4.096 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.201 2.953 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.342 1.579 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.359 2.984 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.133 4.220 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.209 3.592 6.205 1.00 0.00 H new ATOM 772 N ASP A 52 -14.446 5.394 4.931 1.00 0.00 N ATOM 773 CA ASP A 52 -14.043 6.788 4.799 1.00 0.00 C ATOM 774 C ASP A 52 -14.694 7.645 5.881 1.00 0.00 C ATOM 775 O ASP A 52 -15.904 7.578 6.096 1.00 0.00 O ATOM 776 CB ASP A 52 -14.419 7.311 3.411 1.00 0.00 C ATOM 777 CG ASP A 52 -14.106 8.786 3.236 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.925 9.163 3.383 1.00 0.00 O ATOM 779 OD2 ASP A 52 -15.042 9.562 2.954 1.00 0.00 O ATOM 0 H ASP A 52 -15.376 5.260 5.327 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.962 6.849 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.884 6.738 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.483 7.147 3.241 1.00 0.00 H new ATOM 904 N SER A 61 -9.058 10.442 5.929 1.00 0.00 N ATOM 905 CA SER A 61 -8.708 9.169 6.548 1.00 0.00 C ATOM 906 C SER A 61 -9.448 8.018 5.874 1.00 0.00 C ATOM 907 O SER A 61 -10.602 8.161 5.472 1.00 0.00 O ATOM 908 CB SER A 61 -9.037 9.198 8.042 1.00 0.00 C ATOM 909 OG SER A 61 -10.159 10.023 8.301 1.00 0.00 O ATOM 0 HA SER A 61 -7.637 9.012 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.237 8.186 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.176 9.565 8.600 1.00 0.00 H new ATOM 0 HG SER A 61 -10.318 10.609 7.532 1.00 0.00 H new ATOM 915 N PHE A 62 -8.774 6.879 5.751 1.00 0.00 N ATOM 916 CA PHE A 62 -9.371 5.706 5.122 1.00 0.00 C ATOM 917 C PHE A 62 -8.981 4.429 5.861 1.00 0.00 C ATOM 918 O PHE A 62 -7.909 4.350 6.461 1.00 0.00 O ATOM 919 CB PHE A 62 -8.938 5.612 3.658 1.00 0.00 C ATOM 920 CG PHE A 62 -9.386 6.777 2.823 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.694 6.864 2.375 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.497 7.786 2.485 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.109 7.935 1.606 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.906 8.859 1.716 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.213 8.934 1.276 1.00 0.00 C ATOM 0 H PHE A 62 -7.817 6.743 6.077 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.455 5.814 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.851 5.540 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.336 4.693 3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.398 6.086 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.474 7.733 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.132 7.991 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.204 9.638 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.534 9.772 0.675 1.00 0.00 H new ATOM 935 N ARG A 63 -9.859 3.433 5.807 1.00 0.00 N ATOM 936 CA ARG A 63 -9.609 2.156 6.466 1.00 0.00 C ATOM 937 C ARG A 63 -10.041 0.997 5.574 1.00 0.00 C ATOM 938 O ARG A 63 -11.209 0.890 5.201 1.00 0.00 O ATOM 939 CB ARG A 63 -10.353 2.093 7.802 1.00 0.00 C ATOM 940 CG ARG A 63 -9.662 2.857 8.920 1.00 0.00 C ATOM 941 CD ARG A 63 -10.044 2.314 10.288 1.00 0.00 C ATOM 942 NE ARG A 63 -10.561 3.358 11.168 1.00 0.00 N ATOM 943 CZ ARG A 63 -11.276 3.118 12.265 1.00 0.00 C ATOM 944 NH1 ARG A 63 -11.560 1.871 12.620 1.00 0.00 N ATOM 945 NH2 ARG A 63 -11.707 4.127 13.010 1.00 0.00 N ATOM 0 H ARG A 63 -10.750 3.485 5.314 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.538 2.071 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.358 2.492 7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.461 1.050 8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.582 2.793 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.929 3.912 8.859 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.796 1.534 10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.173 1.850 10.750 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.363 4.329 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.230 1.091 12.051 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.108 1.693 13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.491 5.087 12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.255 3.943 13.850 1.00 0.00 H new ATOM 959 N VAL A 64 -9.092 0.132 5.233 1.00 0.00 N ATOM 960 CA VAL A 64 -9.378 -1.016 4.380 1.00 0.00 C ATOM 961 C VAL A 64 -9.096 -2.329 5.104 1.00 0.00 C ATOM 962 O VAL A 64 -8.278 -2.382 6.022 1.00 0.00 O ATOM 963 CB VAL A 64 -8.547 -0.972 3.084 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.945 0.224 2.234 1.00 0.00 C ATOM 965 CG2 VAL A 64 -7.060 -0.936 3.404 1.00 0.00 C ATOM 0 H VAL A 64 -8.120 0.204 5.533 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.437 -0.964 4.129 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.751 -1.878 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.347 0.238 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.001 0.150 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.773 1.143 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.489 -0.905 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.837 -0.049 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.788 -1.828 3.968 1.00 0.00 H new ATOM 975 N LEU A 65 -9.781 -3.386 4.680 1.00 0.00 N ATOM 976 CA LEU A 65 -9.607 -4.703 5.281 1.00 0.00 C ATOM 977 C LEU A 65 -9.215 -5.731 4.225 1.00 0.00 C ATOM 978 O LEU A 65 -9.761 -5.739 3.121 1.00 0.00 O ATOM 979 CB LEU A 65 -10.895 -5.140 5.983 1.00 0.00 C ATOM 980 CG LEU A 65 -10.703 -6.145 7.121 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.220 -7.481 6.577 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.724 -5.601 8.151 1.00 0.00 C ATOM 0 H LEU A 65 -10.462 -3.356 3.922 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.805 -4.639 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.393 -4.255 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.565 -5.577 5.242 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.665 -6.302 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.089 -8.183 7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.956 -7.876 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.269 -7.342 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.599 -6.328 8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.761 -5.416 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.110 -4.669 8.563 1.00 0.00 H new ATOM 994 N VAL A 66 -8.265 -6.594 4.568 1.00 0.00 N ATOM 995 CA VAL A 66 -7.801 -7.623 3.645 1.00 0.00 C ATOM 996 C VAL A 66 -7.774 -8.993 4.314 1.00 0.00 C ATOM 997 O VAL A 66 -7.246 -9.148 5.415 1.00 0.00 O ATOM 998 CB VAL A 66 -6.396 -7.299 3.106 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.004 -8.277 2.009 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.336 -5.866 2.599 1.00 0.00 C ATOM 0 H VAL A 66 -7.802 -6.602 5.477 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.506 -7.643 2.814 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.682 -7.402 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.008 -8.031 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.003 -9.291 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.720 -8.211 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.335 -5.655 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.062 -5.733 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.568 -5.181 3.415 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.347 -9.984 3.638 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.390 -11.344 4.162 1.00 0.00 C ATOM 1012 C VAL A 67 -8.150 -12.364 3.054 1.00 0.00 C ATOM 1013 O VAL A 67 -8.904 -12.427 2.082 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.742 -11.645 4.837 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.718 -13.013 5.502 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.087 -10.560 5.846 1.00 0.00 C ATOM 0 H VAL A 67 -8.788 -9.870 2.725 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.597 -11.423 4.906 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.515 -11.656 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.682 -13.206 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.521 -13.779 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.934 -13.036 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.045 -10.789 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.312 -10.515 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.152 -9.598 5.338 1.00 0.00 H new ATOM 1026 N SER A 68 -7.097 -13.161 3.204 1.00 0.00 N ATOM 1027 CA SER A 68 -6.761 -14.176 2.213 1.00 0.00 C ATOM 1028 C SER A 68 -5.532 -14.973 2.639 1.00 0.00 C ATOM 1029 O SER A 68 -4.937 -14.705 3.683 1.00 0.00 O ATOM 1030 CB SER A 68 -6.513 -13.526 0.851 1.00 0.00 C ATOM 1031 OG SER A 68 -7.034 -14.324 -0.198 1.00 0.00 O ATOM 0 H SER A 68 -6.462 -13.123 4.002 1.00 0.00 H new ATOM 0 HA SER A 68 -7.605 -14.861 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.976 -12.539 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.443 -13.380 0.704 1.00 0.00 H new ATOM 0 HG SER A 68 -6.605 -14.074 -1.043 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.156 -15.951 1.821 1.00 0.00 N ATOM 1038 CA ALA A 69 -3.997 -16.788 2.110 1.00 0.00 C ATOM 1039 C ALA A 69 -2.695 -16.079 1.747 1.00 0.00 C ATOM 1040 O ALA A 69 -1.622 -16.458 2.217 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.104 -18.110 1.365 1.00 0.00 C ATOM 0 H ALA A 69 -5.637 -16.183 0.952 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.983 -16.984 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.233 -18.726 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.008 -18.632 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.148 -17.921 0.292 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.793 -15.048 0.910 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.619 -14.289 0.487 1.00 0.00 C ATOM 1049 C LYS A 70 -0.784 -13.855 1.689 1.00 0.00 C ATOM 1050 O LYS A 70 0.443 -13.803 1.619 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.049 -13.063 -0.322 1.00 0.00 C ATOM 1052 CG LYS A 70 -0.884 -12.214 -0.808 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.224 -12.819 -2.036 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.110 -12.695 -3.265 1.00 0.00 C ATOM 1055 NZ LYS A 70 -0.477 -13.299 -4.469 1.00 0.00 N ATOM 0 H LYS A 70 -3.673 -14.720 0.512 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.005 -14.935 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.632 -13.392 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.706 -12.446 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.238 -11.210 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.148 -12.115 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.728 -12.321 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.003 -13.870 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.066 -13.183 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.322 -11.643 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.113 -13.194 -5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.423 -12.817 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.298 -14.309 -4.297 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.460 -13.545 2.791 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.781 -13.118 4.009 1.00 0.00 C ATOM 1071 C PHE A 71 -0.125 -14.303 4.712 1.00 0.00 C ATOM 1072 O PHE A 71 0.904 -14.154 5.370 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.769 -12.434 4.955 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.240 -11.095 4.464 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.338 -10.171 3.959 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.583 -10.759 4.508 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.768 -8.938 3.507 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -4.019 -9.527 4.057 1.00 0.00 C ATOM 1079 CZ PHE A 71 -3.111 -8.616 3.556 1.00 0.00 C ATOM 0 H PHE A 71 -2.477 -13.582 2.865 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.003 -12.408 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.632 -13.084 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.299 -12.310 5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.287 -10.418 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.298 -11.468 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.055 -8.227 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.069 -9.278 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.450 -7.653 3.203 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.729 -15.478 4.567 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.206 -16.689 5.188 1.00 0.00 C ATOM 1091 C GLU A 72 1.188 -17.014 4.659 1.00 0.00 C ATOM 1092 O GLU A 72 2.104 -17.303 5.429 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.152 -17.864 4.934 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.982 -18.250 6.148 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.228 -19.150 7.107 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.016 -19.049 7.163 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.880 -19.955 7.803 1.00 0.00 O ATOM 0 H GLU A 72 -1.582 -15.617 4.025 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.133 -16.517 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.822 -17.610 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.568 -18.727 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.294 -17.347 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.889 -18.756 5.817 1.00 0.00 H new ATOM 1104 N GLY A 73 1.340 -16.967 3.339 1.00 0.00 N ATOM 1105 CA GLY A 73 2.624 -17.261 2.729 1.00 0.00 C ATOM 1106 C GLY A 73 3.724 -16.337 3.216 1.00 0.00 C ATOM 1107 O GLY A 73 4.716 -16.789 3.787 1.00 0.00 O ATOM 0 H GLY A 73 0.597 -16.731 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.898 -18.293 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.536 -17.176 1.646 1.00 0.00 H new ATOM 1111 N LYS A 74 3.547 -15.039 2.990 1.00 0.00 N ATOM 1112 CA LYS A 74 4.531 -14.049 3.407 1.00 0.00 C ATOM 1113 C LYS A 74 4.424 -13.772 4.905 1.00 0.00 C ATOM 1114 O LYS A 74 3.380 -14.005 5.514 1.00 0.00 O ATOM 1115 CB LYS A 74 4.344 -12.750 2.622 1.00 0.00 C ATOM 1116 CG LYS A 74 4.822 -12.837 1.182 1.00 0.00 C ATOM 1117 CD LYS A 74 3.936 -12.024 0.250 1.00 0.00 C ATOM 1118 CE LYS A 74 4.206 -12.359 -1.208 1.00 0.00 C ATOM 1119 NZ LYS A 74 4.284 -13.829 -1.435 1.00 0.00 N ATOM 0 H LYS A 74 2.730 -14.649 2.520 1.00 0.00 H new ATOM 0 HA LYS A 74 5.523 -14.450 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.288 -12.479 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.883 -11.949 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.849 -12.477 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.829 -13.879 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.889 -12.218 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.108 -10.961 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.416 -11.937 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.141 -11.893 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.096 -14.036 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.234 -14.169 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.577 -14.310 -0.843 1.00 0.00 H new ATOM 1133 N PRO A 75 5.508 -13.268 5.521 1.00 0.00 N ATOM 1134 CA PRO A 75 5.528 -12.959 6.955 1.00 0.00 C ATOM 1135 C PRO A 75 4.624 -11.782 7.306 1.00 0.00 C ATOM 1136 O PRO A 75 3.813 -11.344 6.490 1.00 0.00 O ATOM 1137 CB PRO A 75 6.994 -12.608 7.225 1.00 0.00 C ATOM 1138 CG PRO A 75 7.525 -12.155 5.909 1.00 0.00 C ATOM 1139 CD PRO A 75 6.795 -12.959 4.870 1.00 0.00 C ATOM 0 HA PRO A 75 5.159 -13.790 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.081 -11.824 7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.545 -13.471 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.356 -11.088 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.601 -12.319 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.654 -12.393 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.340 -13.865 4.607 1.00 0.00 H new ATOM 1147 N LEU A 76 4.770 -11.275 8.525 1.00 0.00 N ATOM 1148 CA LEU A 76 3.965 -10.148 8.985 1.00 0.00 C ATOM 1149 C LEU A 76 4.571 -8.825 8.529 1.00 0.00 C ATOM 1150 O LEU A 76 3.853 -7.865 8.249 1.00 0.00 O ATOM 1151 CB LEU A 76 3.845 -10.168 10.511 1.00 0.00 C ATOM 1152 CG LEU A 76 2.662 -9.382 11.077 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.153 -10.031 12.354 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.059 -7.936 11.333 1.00 0.00 C ATOM 0 H LEU A 76 5.437 -11.626 9.212 1.00 0.00 H new ATOM 0 HA LEU A 76 2.971 -10.242 8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.764 -11.204 10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.765 -9.768 10.938 1.00 0.00 H new ATOM 0 HG LEU A 76 1.857 -9.393 10.343 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.311 -9.458 12.743 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.831 -11.050 12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.952 -10.051 13.095 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.206 -7.390 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.880 -7.905 12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.376 -7.475 10.398 1.00 0.00 H new ATOM 1166 N LEU A 77 5.897 -8.781 8.456 1.00 0.00 N ATOM 1167 CA LEU A 77 6.600 -7.575 8.034 1.00 0.00 C ATOM 1168 C LEU A 77 6.483 -7.373 6.526 1.00 0.00 C ATOM 1169 O LEU A 77 6.443 -6.243 6.042 1.00 0.00 O ATOM 1170 CB LEU A 77 8.075 -7.651 8.437 1.00 0.00 C ATOM 1171 CG LEU A 77 8.780 -8.962 8.074 1.00 0.00 C ATOM 1172 CD1 LEU A 77 10.181 -8.688 7.549 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.831 -9.889 9.280 1.00 0.00 C ATOM 0 H LEU A 77 6.507 -9.567 8.684 1.00 0.00 H new ATOM 0 HA LEU A 77 6.137 -6.723 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.608 -6.826 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.150 -7.502 9.514 1.00 0.00 H new ATOM 0 HG LEU A 77 8.210 -9.454 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.666 -9.631 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.120 -8.062 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.763 -8.175 8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.335 -10.816 9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.378 -9.404 10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.817 -10.112 9.611 1.00 0.00 H new ATOM 1185 N GLN A 78 6.429 -8.478 5.789 1.00 0.00 N ATOM 1186 CA GLN A 78 6.318 -8.423 4.336 1.00 0.00 C ATOM 1187 C GLN A 78 4.917 -7.990 3.913 1.00 0.00 C ATOM 1188 O GLN A 78 4.757 -7.137 3.040 1.00 0.00 O ATOM 1189 CB GLN A 78 6.649 -9.785 3.725 1.00 0.00 C ATOM 1190 CG GLN A 78 6.671 -9.781 2.205 1.00 0.00 C ATOM 1191 CD GLN A 78 7.887 -9.071 1.643 1.00 0.00 C ATOM 1192 OE1 GLN A 78 7.791 -7.947 1.149 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.040 -9.725 1.714 1.00 0.00 N ATOM 0 H GLN A 78 6.460 -9.422 6.174 1.00 0.00 H new ATOM 0 HA GLN A 78 7.033 -7.686 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.621 -10.112 4.093 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.916 -10.515 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.655 -10.809 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.768 -9.297 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.074 -10.655 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.892 -9.298 1.351 1.00 0.00 H new ATOM 1202 N ARG A 79 3.905 -8.583 4.539 1.00 0.00 N ATOM 1203 CA ARG A 79 2.518 -8.259 4.228 1.00 0.00 C ATOM 1204 C ARG A 79 2.234 -6.781 4.478 1.00 0.00 C ATOM 1205 O ARG A 79 1.592 -6.116 3.666 1.00 0.00 O ATOM 1206 CB ARG A 79 1.570 -9.121 5.063 1.00 0.00 C ATOM 1207 CG ARG A 79 1.812 -9.016 6.560 1.00 0.00 C ATOM 1208 CD ARG A 79 0.827 -9.866 7.344 1.00 0.00 C ATOM 1209 NE ARG A 79 1.222 -11.271 7.379 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.528 -12.222 8.001 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.596 -11.922 8.640 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.958 -13.476 7.984 1.00 0.00 N ATOM 0 H ARG A 79 4.020 -9.290 5.265 1.00 0.00 H new ATOM 0 HA ARG A 79 2.352 -8.468 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.542 -8.829 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.676 -10.162 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.830 -9.333 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.725 -7.975 6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.751 -9.486 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.163 -9.779 6.896 1.00 0.00 H new ATOM 0 HE ARG A 79 2.081 -11.540 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.932 -10.959 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.124 -12.654 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.821 -13.713 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.426 -14.204 8.461 1.00 0.00 H new ATOM 1226 N HIS A 80 2.718 -6.274 5.608 1.00 0.00 N ATOM 1227 CA HIS A 80 2.516 -4.875 5.965 1.00 0.00 C ATOM 1228 C HIS A 80 3.188 -3.953 4.953 1.00 0.00 C ATOM 1229 O HIS A 80 2.671 -2.881 4.637 1.00 0.00 O ATOM 1230 CB HIS A 80 3.066 -4.601 7.367 1.00 0.00 C ATOM 1231 CG HIS A 80 2.060 -4.808 8.455 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.268 -4.408 9.759 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.830 -5.376 8.430 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.211 -4.722 10.487 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.325 -5.309 9.705 1.00 0.00 N ATOM 0 H HIS A 80 3.252 -6.811 6.291 1.00 0.00 H new ATOM 0 HA HIS A 80 1.445 -4.674 5.957 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.922 -5.252 7.546 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.431 -3.575 7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.338 -5.802 7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.092 -4.531 11.543 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.587 -5.657 10.000 1.00 0.00 H new ATOM 1244 N ARG A 81 4.342 -4.376 4.448 1.00 0.00 N ATOM 1245 CA ARG A 81 5.083 -3.589 3.471 1.00 0.00 C ATOM 1246 C ARG A 81 4.414 -3.650 2.102 1.00 0.00 C ATOM 1247 O ARG A 81 4.462 -2.690 1.333 1.00 0.00 O ATOM 1248 CB ARG A 81 6.527 -4.088 3.371 1.00 0.00 C ATOM 1249 CG ARG A 81 7.513 -3.263 4.181 1.00 0.00 C ATOM 1250 CD ARG A 81 8.947 -3.701 3.928 1.00 0.00 C ATOM 1251 NE ARG A 81 9.913 -2.790 4.535 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.216 -1.592 4.038 1.00 0.00 C ATOM 1253 NH1 ARG A 81 9.631 -1.159 2.929 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.106 -0.825 4.654 1.00 0.00 N ATOM 0 H ARG A 81 4.784 -5.260 4.700 1.00 0.00 H new ATOM 0 HA ARG A 81 5.088 -2.552 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.569 -5.124 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.833 -4.081 2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.403 -2.209 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.284 -3.359 5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.095 -4.705 4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.125 -3.755 2.854 1.00 0.00 H new ATOM 0 HE ARG A 81 10.383 -3.088 5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.945 -1.744 2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.867 -0.241 2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.558 -1.153 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.339 0.093 4.274 1.00 0.00 H new ATOM 1268 N LEU A 82 3.788 -4.784 1.805 1.00 0.00 N ATOM 1269 CA LEU A 82 3.107 -4.972 0.529 1.00 0.00 C ATOM 1270 C LEU A 82 2.019 -3.920 0.334 1.00 0.00 C ATOM 1271 O LEU A 82 1.951 -3.268 -0.708 1.00 0.00 O ATOM 1272 CB LEU A 82 2.500 -6.374 0.452 1.00 0.00 C ATOM 1273 CG LEU A 82 3.405 -7.436 -0.174 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.870 -8.830 0.119 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.525 -7.215 -1.674 1.00 0.00 C ATOM 0 H LEU A 82 3.738 -5.588 2.431 1.00 0.00 H new ATOM 0 HA LEU A 82 3.842 -4.860 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.233 -6.694 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.575 -6.322 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 82 4.398 -7.348 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.526 -9.574 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.833 -8.986 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.867 -8.930 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.172 -7.979 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.537 -7.277 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.951 -6.230 -1.864 1.00 0.00 H new ATOM 1287 N VAL A 83 1.170 -3.760 1.344 1.00 0.00 N ATOM 1288 CA VAL A 83 0.086 -2.787 1.285 1.00 0.00 C ATOM 1289 C VAL A 83 0.629 -1.370 1.133 1.00 0.00 C ATOM 1290 O VAL A 83 0.118 -0.578 0.342 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.799 -2.854 2.542 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.026 -1.969 2.382 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.204 -4.292 2.834 1.00 0.00 C ATOM 0 H VAL A 83 1.212 -4.292 2.213 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.518 -3.038 0.413 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.222 -2.483 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.639 -2.030 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.712 -0.937 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.607 -2.305 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.829 -4.320 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.762 -4.692 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.311 -4.895 2.998 1.00 0.00 H new ATOM 1303 N ASN A 84 1.671 -1.057 1.898 1.00 0.00 N ATOM 1304 CA ASN A 84 2.286 0.263 1.850 1.00 0.00 C ATOM 1305 C ASN A 84 2.981 0.491 0.511 1.00 0.00 C ATOM 1306 O ASN A 84 2.908 1.579 -0.060 1.00 0.00 O ATOM 1307 CB ASN A 84 3.290 0.425 2.992 1.00 0.00 C ATOM 1308 CG ASN A 84 2.613 0.560 4.342 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.787 1.450 4.549 1.00 0.00 O ATOM 1310 ND2 ASN A 84 2.960 -0.325 5.270 1.00 0.00 N ATOM 0 H ASN A 84 2.106 -1.701 2.558 1.00 0.00 H new ATOM 0 HA ASN A 84 1.497 1.007 1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.959 -0.435 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.906 1.305 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.538 -0.284 6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.649 -1.046 5.055 1.00 0.00 H new ATOM 1317 N GLU A 85 3.652 -0.544 0.015 1.00 0.00 N ATOM 1318 CA GLU A 85 4.360 -0.457 -1.256 1.00 0.00 C ATOM 1319 C GLU A 85 3.402 -0.107 -2.390 1.00 0.00 C ATOM 1320 O GLU A 85 3.751 0.645 -3.301 1.00 0.00 O ATOM 1321 CB GLU A 85 5.068 -1.779 -1.562 1.00 0.00 C ATOM 1322 CG GLU A 85 6.381 -1.951 -0.815 1.00 0.00 C ATOM 1323 CD GLU A 85 7.506 -2.421 -1.716 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.764 -1.757 -2.741 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.130 -3.455 -1.394 1.00 0.00 O ATOM 0 H GLU A 85 3.720 -1.452 0.474 1.00 0.00 H new ATOM 0 HA GLU A 85 5.104 0.336 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.404 -2.605 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.258 -1.841 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.660 -1.003 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.244 -2.669 -0.006 1.00 0.00 H new ATOM 1332 N CYS A 86 2.193 -0.655 -2.328 1.00 0.00 N ATOM 1333 CA CYS A 86 1.184 -0.399 -3.350 1.00 0.00 C ATOM 1334 C CYS A 86 0.856 1.088 -3.428 1.00 0.00 C ATOM 1335 O CYS A 86 0.991 1.710 -4.481 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.086 -1.199 -3.053 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.131 -1.486 -4.501 1.00 0.00 S ATOM 0 H CYS A 86 1.888 -1.279 -1.581 1.00 0.00 H new ATOM 0 HA CYS A 86 1.587 -0.715 -4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.195 -2.161 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.667 -0.671 -2.297 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.179 -2.172 -4.151 1.00 0.00 H new ATOM 1343 N LEU A 87 0.426 1.654 -2.304 1.00 0.00 N ATOM 1344 CA LEU A 87 0.080 3.069 -2.244 1.00 0.00 C ATOM 1345 C LEU A 87 1.242 3.889 -1.692 1.00 0.00 C ATOM 1346 O LEU A 87 1.060 4.736 -0.817 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.165 3.275 -1.377 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.262 2.225 -1.560 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.172 2.186 -0.343 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.066 2.510 -2.820 1.00 0.00 C ATOM 0 H LEU A 87 0.309 1.154 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.132 3.410 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.863 3.284 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.583 4.257 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.790 1.248 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.946 1.433 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.586 1.935 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.637 3.162 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.842 1.754 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.527 3.494 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.405 2.486 -3.686 1.00 0.00 H new ATOM 1362 N ALA A 88 2.439 3.629 -2.209 1.00 0.00 N ATOM 1363 CA ALA A 88 3.633 4.339 -1.768 1.00 0.00 C ATOM 1364 C ALA A 88 3.521 5.833 -2.050 1.00 0.00 C ATOM 1365 O ALA A 88 3.755 6.660 -1.169 1.00 0.00 O ATOM 1366 CB ALA A 88 4.868 3.764 -2.445 1.00 0.00 C ATOM 0 H ALA A 88 2.607 2.931 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 88 3.726 4.206 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.753 4.303 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.966 2.709 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.772 3.867 -3.526 1.00 0.00 H new ATOM 1372 N GLU A 89 3.165 6.174 -3.285 1.00 0.00 N ATOM 1373 CA GLU A 89 3.025 7.570 -3.683 1.00 0.00 C ATOM 1374 C GLU A 89 1.742 8.175 -3.120 1.00 0.00 C ATOM 1375 O GLU A 89 1.700 9.358 -2.779 1.00 0.00 O ATOM 1376 CB GLU A 89 3.033 7.689 -5.208 1.00 0.00 C ATOM 1377 CG GLU A 89 4.174 6.936 -5.872 1.00 0.00 C ATOM 1378 CD GLU A 89 3.828 6.474 -7.275 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.637 7.339 -8.155 1.00 0.00 O ATOM 1380 OE2 GLU A 89 3.750 5.246 -7.492 1.00 0.00 O ATOM 0 H GLU A 89 2.968 5.502 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 89 3.872 8.123 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.086 7.315 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.096 8.742 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.054 7.578 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.437 6.071 -5.263 1.00 0.00 H new ATOM 1387 N GLU A 90 0.697 7.359 -3.032 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.589 7.814 -2.516 1.00 0.00 C ATOM 1389 C GLU A 90 -0.557 7.966 -0.996 1.00 0.00 C ATOM 1390 O GLU A 90 -1.272 8.796 -0.433 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.695 6.837 -2.917 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.203 7.042 -4.334 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.230 6.534 -5.381 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.960 5.316 -5.400 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -0.738 7.357 -6.182 1.00 0.00 O ATOM 0 H GLU A 90 0.715 6.378 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.795 8.792 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.322 5.818 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.529 6.940 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.158 6.530 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.388 8.103 -4.500 1.00 0.00 H new ATOM 1402 N LEU A 91 0.266 7.155 -0.337 1.00 0.00 N ATOM 1403 CA LEU A 91 0.379 7.193 1.120 1.00 0.00 C ATOM 1404 C LEU A 91 0.602 8.620 1.627 1.00 0.00 C ATOM 1405 O LEU A 91 -0.181 9.128 2.429 1.00 0.00 O ATOM 1406 CB LEU A 91 1.516 6.283 1.589 1.00 0.00 C ATOM 1407 CG LEU A 91 1.073 4.927 2.144 1.00 0.00 C ATOM 1408 CD1 LEU A 91 2.269 4.150 2.672 1.00 0.00 C ATOM 1409 CD2 LEU A 91 0.031 5.114 3.238 1.00 0.00 C ATOM 0 H LEU A 91 0.865 6.463 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.562 6.832 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.193 6.112 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.085 6.805 2.358 1.00 0.00 H new ATOM 0 HG LEU A 91 0.622 4.354 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.935 3.189 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.982 3.985 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.749 4.718 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.273 4.140 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.456 5.706 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.838 5.630 2.829 1.00 0.00 H new ATOM 1421 N PRO A 92 1.678 9.286 1.171 1.00 0.00 N ATOM 1422 CA PRO A 92 1.995 10.655 1.586 1.00 0.00 C ATOM 1423 C PRO A 92 0.770 11.566 1.581 1.00 0.00 C ATOM 1424 O PRO A 92 0.665 12.487 2.391 1.00 0.00 O ATOM 1425 CB PRO A 92 3.004 11.110 0.536 1.00 0.00 C ATOM 1426 CG PRO A 92 3.693 9.859 0.110 1.00 0.00 C ATOM 1427 CD PRO A 92 2.671 8.757 0.215 1.00 0.00 C ATOM 0 HA PRO A 92 2.370 10.696 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.509 11.596 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.710 11.830 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.065 9.948 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.554 9.653 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.218 8.538 -0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.118 7.830 0.575 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.153 11.304 0.660 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.370 12.100 0.550 1.00 0.00 C ATOM 1437 C HIS A 93 -2.348 11.758 1.669 1.00 0.00 C ATOM 1438 O HIS A 93 -3.110 12.612 2.124 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.033 11.871 -0.810 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.177 12.280 -1.969 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.565 13.226 -2.894 1.00 0.00 N ATOM 1442 CD2 HIS A 93 0.054 11.865 -2.351 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.611 13.376 -3.795 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.382 12.561 -3.488 1.00 0.00 N ATOM 0 H HIS A 93 -0.081 10.547 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.096 13.151 0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.285 10.815 -0.909 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.970 12.427 -0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.664 11.125 -1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.638 14.050 -4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.252 12.464 -4.011 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.320 10.504 2.109 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.201 10.048 3.177 1.00 0.00 C ATOM 1455 C ILE A 94 -2.733 10.558 4.534 1.00 0.00 C ATOM 1456 O ILE A 94 -1.661 10.186 5.012 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.279 8.509 3.223 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.535 7.944 1.824 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.368 8.064 4.188 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -4.881 8.330 1.251 1.00 0.00 C ATOM 0 H ILE A 94 -1.696 9.785 1.742 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.190 10.451 2.961 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.324 8.123 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.750 8.292 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.464 6.857 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.412 6.975 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.144 8.439 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.329 8.459 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.992 7.894 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.673 7.959 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.949 9.416 1.180 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.543 11.410 5.154 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.209 11.968 6.459 1.00 0.00 C ATOM 1474 C HIS A 95 -3.192 10.876 7.525 1.00 0.00 C ATOM 1475 O HIS A 95 -2.432 10.948 8.490 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.210 13.058 6.844 1.00 0.00 C ATOM 1477 CG HIS A 95 -3.781 13.875 8.023 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.509 13.328 9.259 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -3.577 15.208 8.150 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.157 14.289 10.095 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.189 15.438 9.447 1.00 0.00 N ATOM 0 H HIS A 95 -4.434 11.729 4.774 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.214 12.408 6.396 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.362 13.719 5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.172 12.595 7.064 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -3.570 12.337 9.492 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.697 15.951 7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.889 14.156 11.133 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.036 9.866 7.340 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.120 8.757 8.282 1.00 0.00 C ATOM 1492 C ALA A 96 -4.630 7.495 7.595 1.00 0.00 C ATOM 1493 O ALA A 96 -5.759 7.455 7.106 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.021 9.123 9.451 1.00 0.00 C ATOM 0 H ALA A 96 -4.672 9.793 6.546 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.118 8.557 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.074 8.285 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.615 9.995 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.021 9.352 9.082 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.789 6.466 7.560 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.154 5.203 6.931 1.00 0.00 C ATOM 1502 C PHE A 97 -4.096 4.056 7.935 1.00 0.00 C ATOM 1503 O PHE A 97 -3.183 3.986 8.759 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.223 4.909 5.752 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.750 3.857 4.818 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.598 2.512 5.115 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.394 4.212 3.644 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.082 1.540 4.258 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.878 3.245 2.783 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.722 1.908 3.091 1.00 0.00 C ATOM 0 H PHE A 97 -2.851 6.483 7.960 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.177 5.291 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.057 5.830 5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.254 4.590 6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.096 2.219 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.519 5.256 3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.960 0.495 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.378 3.535 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.100 1.151 2.420 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.074 3.160 7.860 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.134 2.016 8.763 1.00 0.00 C ATOM 1522 C GLU A 98 -5.763 0.811 8.073 1.00 0.00 C ATOM 1523 O GLU A 98 -6.910 0.864 7.631 1.00 0.00 O ATOM 1524 CB GLU A 98 -5.931 2.373 10.020 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.483 1.615 11.258 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.410 1.829 12.439 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -6.316 2.896 13.082 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -7.230 0.930 12.722 1.00 0.00 O ATOM 0 H GLU A 98 -5.836 3.204 7.183 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.115 1.757 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.840 3.443 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.987 2.169 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.432 0.551 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.476 1.932 11.529 1.00 0.00 H new ATOM 1535 N GLN A 99 -5.003 -0.276 7.984 1.00 0.00 N ATOM 1536 CA GLN A 99 -5.486 -1.496 7.348 1.00 0.00 C ATOM 1537 C GLN A 99 -5.124 -2.722 8.178 1.00 0.00 C ATOM 1538 O GLN A 99 -4.092 -2.748 8.847 1.00 0.00 O ATOM 1539 CB GLN A 99 -4.900 -1.629 5.941 1.00 0.00 C ATOM 1540 CG GLN A 99 -3.380 -1.663 5.915 1.00 0.00 C ATOM 1541 CD GLN A 99 -2.828 -3.072 5.992 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -3.571 -4.033 6.188 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -1.515 -3.202 5.838 1.00 0.00 N ATOM 0 H GLN A 99 -4.051 -0.337 8.344 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.572 -1.434 7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.283 -2.540 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.247 -0.794 5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.025 -1.187 5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.993 -1.079 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.936 -2.378 5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.086 -4.126 5.880 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.982 -3.737 8.133 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.752 -4.966 8.883 1.00 0.00 C ATOM 1554 C LYS A 100 -5.514 -6.142 7.941 1.00 0.00 C ATOM 1555 O LYS A 100 -5.778 -6.053 6.741 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.942 -5.261 9.797 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.541 -5.755 11.178 1.00 0.00 C ATOM 1558 CD LYS A 100 -6.496 -4.619 12.185 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.014 -5.059 13.545 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.250 -4.432 14.660 1.00 0.00 N ATOM 0 H LYS A 100 -6.842 -3.732 7.585 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.860 -4.828 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.541 -4.356 9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.577 -6.009 9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.249 -6.513 11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.563 -6.234 11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.472 -4.259 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.094 -3.784 11.820 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.068 -4.796 13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.948 -6.144 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.634 -4.757 15.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.248 -4.703 14.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.334 -3.397 14.599 1.00 0.00 H new ATOM 1574 N THR A 101 -5.015 -7.243 8.491 1.00 0.00 N ATOM 1575 CA THR A 101 -4.741 -8.437 7.700 1.00 0.00 C ATOM 1576 C THR A 101 -4.939 -9.700 8.532 1.00 0.00 C ATOM 1577 O THR A 101 -4.440 -9.801 9.654 1.00 0.00 O ATOM 1578 CB THR A 101 -3.314 -8.395 7.151 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.373 -8.657 8.177 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.953 -7.063 6.527 1.00 0.00 C ATOM 0 H THR A 101 -4.792 -7.334 9.482 1.00 0.00 H new ATOM 0 HA THR A 101 -5.444 -8.458 6.867 1.00 0.00 H new ATOM 0 HB THR A 101 -3.279 -9.163 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.492 -8.324 7.906 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.928 -7.100 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.630 -6.854 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.041 -6.275 7.275 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.669 -10.661 7.976 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.933 -11.919 8.667 1.00 0.00 C ATOM 1590 C LEU A 102 -6.086 -13.064 7.671 1.00 0.00 C ATOM 1591 O LEU A 102 -6.320 -12.840 6.483 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.195 -11.799 9.526 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.946 -11.464 10.998 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -8.265 -11.253 11.726 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.138 -12.567 11.665 1.00 0.00 C ATOM 0 H LEU A 102 -6.089 -10.593 7.049 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.083 -12.136 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.836 -11.029 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.745 -12.739 9.471 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.373 -10.538 11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.069 -11.016 12.772 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.809 -10.430 11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.863 -12.162 11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.970 -12.313 12.712 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.686 -13.507 11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.179 -12.672 11.159 1.00 0.00 H new ATOM 1607 N THR A 103 -5.950 -14.291 8.163 1.00 0.00 N ATOM 1608 CA THR A 103 -6.074 -15.472 7.316 1.00 0.00 C ATOM 1609 C THR A 103 -7.537 -15.880 7.161 1.00 0.00 C ATOM 1610 O THR A 103 -8.370 -15.571 8.014 1.00 0.00 O ATOM 1611 CB THR A 103 -5.269 -16.633 7.903 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.893 -17.137 9.071 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.851 -16.253 8.267 1.00 0.00 C ATOM 0 H THR A 103 -5.754 -14.494 9.143 1.00 0.00 H new ATOM 0 HA THR A 103 -5.678 -15.225 6.331 1.00 0.00 H new ATOM 0 HB THR A 103 -5.235 -17.388 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.323 -16.402 9.555 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.336 -17.121 8.677 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.327 -15.907 7.376 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.867 -15.456 9.010 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.870 -16.581 6.064 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.242 -17.031 5.800 1.00 0.00 C ATOM 1623 C PRO A 104 -9.816 -17.841 6.956 1.00 0.00 C ATOM 1624 O PRO A 104 -10.935 -17.592 7.406 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.099 -17.908 4.553 1.00 0.00 C ATOM 1626 CG PRO A 104 -7.855 -17.429 3.889 1.00 0.00 C ATOM 1627 CD PRO A 104 -6.939 -16.992 4.997 1.00 0.00 C ATOM 0 HA PRO A 104 -9.926 -16.193 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.025 -18.963 4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.963 -17.805 3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.399 -18.221 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.068 -16.604 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.286 -17.802 5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.295 -16.169 4.686 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.044 -18.811 7.435 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.475 -19.659 8.541 1.00 0.00 C ATOM 1637 C GLU A 105 -9.782 -18.822 9.780 1.00 0.00 C ATOM 1638 O GLU A 105 -10.643 -19.179 10.584 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.398 -20.699 8.861 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.758 -22.104 8.409 1.00 0.00 C ATOM 1641 CD GLU A 105 -7.562 -22.869 7.879 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -6.791 -23.410 8.700 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -7.395 -22.928 6.642 1.00 0.00 O ATOM 0 H GLU A 105 -8.115 -19.030 7.074 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.387 -20.174 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.464 -20.401 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.220 -20.706 9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.193 -22.651 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.522 -22.048 7.633 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.072 -17.708 9.927 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.269 -16.822 11.068 1.00 0.00 C ATOM 1652 C GLN A 106 -10.573 -16.043 10.933 1.00 0.00 C ATOM 1653 O GLN A 106 -11.413 -16.058 11.832 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.092 -15.853 11.197 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.964 -16.378 12.069 1.00 0.00 C ATOM 1656 CD GLN A 106 -5.609 -15.835 11.660 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -5.467 -15.221 10.603 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -4.604 -16.059 12.498 1.00 0.00 N ATOM 0 H GLN A 106 -8.356 -17.398 9.271 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.325 -17.435 11.967 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.701 -15.636 10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.452 -14.911 11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.159 -16.112 13.108 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.946 -17.467 12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.767 -16.573 13.364 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.669 -15.717 12.276 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.734 -15.361 9.803 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.937 -14.576 9.550 1.00 0.00 C ATOM 1669 C TRP A 107 -13.168 -15.471 9.469 1.00 0.00 C ATOM 1670 O TRP A 107 -14.195 -15.189 10.086 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.788 -13.776 8.259 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.407 -12.416 8.338 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.680 -12.077 7.990 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.783 -11.216 8.803 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.886 -10.735 8.202 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.735 -10.184 8.702 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.511 -10.914 9.294 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.453 -8.872 9.075 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.232 -9.611 9.664 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -11.200 -8.605 9.552 1.00 0.00 C ATOM 0 H TRP A 107 -10.047 -15.336 9.049 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.069 -13.886 10.383 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.729 -13.674 8.022 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.246 -14.330 7.440 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.419 -12.763 7.604 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.754 -10.231 8.017 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.759 -11.684 9.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.197 -8.094 8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.252 -9.365 10.045 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.951 -7.597 9.849 1.00 0.00 H new ATOM 1691 N THR A 108 -13.060 -16.551 8.702 1.00 0.00 N ATOM 1692 CA THR A 108 -14.165 -17.488 8.537 1.00 0.00 C ATOM 1693 C THR A 108 -14.612 -18.049 9.884 1.00 0.00 C ATOM 1694 O THR A 108 -15.784 -18.371 10.076 1.00 0.00 O ATOM 1695 CB THR A 108 -13.757 -18.631 7.607 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.158 -18.126 6.427 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.918 -19.507 7.192 1.00 0.00 C ATOM 0 H THR A 108 -12.217 -16.799 8.184 1.00 0.00 H new ATOM 0 HA THR A 108 -15.002 -16.948 8.094 1.00 0.00 H new ATOM 0 HB THR A 108 -13.054 -19.234 8.181 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.184 -18.209 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.560 -20.298 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.374 -19.951 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.659 -18.904 6.666 1.00 0.00 H new