USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 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 84 ASN :FLIP amide:sc= -3.72! F(o=-4.1,f=-3.4!) USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= 0.296 F(o=-4.1,f=-3.4) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 LYS NZ :NH3+ -165:sc= 0.647 (180deg=0.554) USER MOD Single : A 31 SER OG : rot -4:sc= 0.673 USER MOD Single : A 41 GLN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 61 SER OG : rot 158:sc= -3.9! USER MOD Single : A 68 SER OG : rot -140:sc= -0.097 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -136:sc= -1.38 (180deg=-6.13!) USER MOD Single : A 78 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.2) USER MOD Single : A 80 HIS : no HD1:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.858 USER MOD Single : A 93 HIS : no HD1:sc= -0.125 X(o=-0.13,f=0.00065) USER MOD Single : A 95 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.15) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -130:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 106 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.3) USER MOD Single : A 108 THR OG1 : rot 102:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -10.444 7.786 -3.510 1.00 0.00 N ATOM 428 CA SER A 31 -11.663 7.018 -3.282 1.00 0.00 C ATOM 429 C SER A 31 -11.378 5.784 -2.431 1.00 0.00 C ATOM 430 O SER A 31 -10.301 5.194 -2.514 1.00 0.00 O ATOM 431 CB SER A 31 -12.288 6.601 -4.617 1.00 0.00 C ATOM 432 OG SER A 31 -11.410 6.862 -5.699 1.00 0.00 O ATOM 0 HA SER A 31 -12.367 7.653 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.532 5.539 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.224 7.139 -4.767 1.00 0.00 H new ATOM 0 HG SER A 31 -10.607 7.314 -5.367 1.00 0.00 H new ATOM 438 N ALA A 32 -12.354 5.400 -1.614 1.00 0.00 N ATOM 439 CA ALA A 32 -12.211 4.237 -0.749 1.00 0.00 C ATOM 440 C ALA A 32 -12.131 2.951 -1.564 1.00 0.00 C ATOM 441 O ALA A 32 -11.320 2.071 -1.279 1.00 0.00 O ATOM 442 CB ALA A 32 -13.368 4.168 0.236 1.00 0.00 C ATOM 0 H ALA A 32 -13.252 5.878 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.279 4.341 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.249 3.294 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.378 5.069 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.308 4.091 -0.311 1.00 0.00 H new ATOM 448 N ASP A 33 -12.979 2.851 -2.584 1.00 0.00 N ATOM 449 CA ASP A 33 -13.004 1.673 -3.444 1.00 0.00 C ATOM 450 C ASP A 33 -11.715 1.562 -4.253 1.00 0.00 C ATOM 451 O ASP A 33 -11.271 0.463 -4.585 1.00 0.00 O ATOM 452 CB ASP A 33 -14.208 1.730 -4.385 1.00 0.00 C ATOM 453 CG ASP A 33 -14.824 0.364 -4.619 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.611 -0.087 -3.761 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.519 -0.255 -5.659 1.00 0.00 O ATOM 0 H ASP A 33 -13.657 3.571 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.089 0.791 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.961 2.398 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.899 2.155 -5.340 1.00 0.00 H new ATOM 460 N TYR A 34 -11.120 2.708 -4.569 1.00 0.00 N ATOM 461 CA TYR A 34 -9.882 2.740 -5.340 1.00 0.00 C ATOM 462 C TYR A 34 -8.773 1.976 -4.623 1.00 0.00 C ATOM 463 O TYR A 34 -8.178 1.055 -5.182 1.00 0.00 O ATOM 464 CB TYR A 34 -9.446 4.185 -5.583 1.00 0.00 C ATOM 465 CG TYR A 34 -8.186 4.307 -6.410 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.056 3.633 -7.617 1.00 0.00 C ATOM 467 CD2 TYR A 34 -7.126 5.098 -5.983 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.906 3.741 -8.375 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.972 5.212 -6.736 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.867 4.531 -7.931 1.00 0.00 C ATOM 471 OH TYR A 34 -4.720 4.643 -8.682 1.00 0.00 O ATOM 0 H TYR A 34 -11.475 3.627 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.069 2.257 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.253 4.719 -6.085 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.288 4.675 -4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.868 3.014 -7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.205 5.632 -5.048 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.821 3.209 -9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.157 5.831 -6.390 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.088 5.238 -8.227 1.00 0.00 H new ATOM 481 N LEU A 35 -8.501 2.364 -3.380 1.00 0.00 N ATOM 482 CA LEU A 35 -7.464 1.715 -2.587 1.00 0.00 C ATOM 483 C LEU A 35 -7.827 0.262 -2.300 1.00 0.00 C ATOM 484 O LEU A 35 -6.952 -0.596 -2.183 1.00 0.00 O ATOM 485 CB LEU A 35 -7.252 2.468 -1.272 1.00 0.00 C ATOM 486 CG LEU A 35 -7.059 3.980 -1.415 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.016 4.643 -0.047 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.789 4.283 -2.196 1.00 0.00 C ATOM 0 H LEU A 35 -8.984 3.124 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.538 1.733 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.110 2.286 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.379 2.052 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.907 4.386 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.878 5.718 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.952 4.454 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.187 4.233 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.667 5.362 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.930 3.865 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.858 3.839 -3.189 1.00 0.00 H new ATOM 500 N ARG A 36 -9.123 -0.007 -2.185 1.00 0.00 N ATOM 501 CA ARG A 36 -9.603 -1.356 -1.912 1.00 0.00 C ATOM 502 C ARG A 36 -9.322 -2.286 -3.088 1.00 0.00 C ATOM 503 O ARG A 36 -8.637 -3.299 -2.941 1.00 0.00 O ATOM 504 CB ARG A 36 -11.103 -1.335 -1.612 1.00 0.00 C ATOM 505 CG ARG A 36 -11.677 -2.701 -1.275 1.00 0.00 C ATOM 506 CD ARG A 36 -13.141 -2.609 -0.876 1.00 0.00 C ATOM 507 NE ARG A 36 -13.943 -3.665 -1.490 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.363 -3.638 -2.752 1.00 0.00 C ATOM 509 NH1 ARG A 36 -14.061 -2.611 -3.538 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.088 -4.639 -3.231 1.00 0.00 N ATOM 0 H ARG A 36 -9.860 0.692 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.069 -1.733 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.289 -0.657 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.632 -0.931 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.575 -3.362 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.105 -3.146 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.226 -2.674 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.536 -1.636 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.196 -4.470 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.504 -1.837 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.386 -2.596 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.324 -5.430 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.410 -4.618 -4.199 1.00 0.00 H new ATOM 524 N GLU A 37 -9.855 -1.935 -4.253 1.00 0.00 N ATOM 525 CA GLU A 37 -9.662 -2.739 -5.455 1.00 0.00 C ATOM 526 C GLU A 37 -8.180 -2.875 -5.791 1.00 0.00 C ATOM 527 O GLU A 37 -7.750 -3.886 -6.346 1.00 0.00 O ATOM 528 CB GLU A 37 -10.408 -2.113 -6.636 1.00 0.00 C ATOM 529 CG GLU A 37 -11.920 -2.168 -6.498 1.00 0.00 C ATOM 530 CD GLU A 37 -12.527 -3.365 -7.203 1.00 0.00 C ATOM 531 OE1 GLU A 37 -11.961 -3.800 -8.227 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.568 -3.868 -6.729 1.00 0.00 O ATOM 0 H GLU A 37 -10.424 -1.100 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.064 -3.734 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.099 -1.073 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.116 -2.626 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.184 -2.202 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.352 -1.254 -6.905 1.00 0.00 H new ATOM 539 N LYS A 38 -7.404 -1.852 -5.450 1.00 0.00 N ATOM 540 CA LYS A 38 -5.970 -1.858 -5.717 1.00 0.00 C ATOM 541 C LYS A 38 -5.288 -3.019 -5.000 1.00 0.00 C ATOM 542 O LYS A 38 -4.668 -3.874 -5.633 1.00 0.00 O ATOM 543 CB LYS A 38 -5.342 -0.534 -5.278 1.00 0.00 C ATOM 544 CG LYS A 38 -4.090 -0.168 -6.057 1.00 0.00 C ATOM 545 CD LYS A 38 -3.851 1.334 -6.055 1.00 0.00 C ATOM 546 CE LYS A 38 -2.375 1.663 -6.222 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.172 2.934 -6.969 1.00 0.00 N ATOM 0 H LYS A 38 -7.744 -1.008 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.827 -1.982 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.077 0.263 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.096 -0.592 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.229 -0.675 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.183 -0.521 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.421 1.795 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.217 1.761 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.907 1.740 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.879 0.848 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.183 2.998 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.800 2.954 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.391 3.740 -6.349 1.00 0.00 H new ATOM 561 N LEU A 39 -5.406 -3.044 -3.677 1.00 0.00 N ATOM 562 CA LEU A 39 -4.801 -4.101 -2.876 1.00 0.00 C ATOM 563 C LEU A 39 -5.478 -5.442 -3.141 1.00 0.00 C ATOM 564 O LEU A 39 -4.845 -6.495 -3.064 1.00 0.00 O ATOM 565 CB LEU A 39 -4.891 -3.756 -1.388 1.00 0.00 C ATOM 566 CG LEU A 39 -4.430 -2.345 -1.021 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.207 -1.825 0.179 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.936 -2.330 -0.738 1.00 0.00 C ATOM 0 H LEU A 39 -5.915 -2.344 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.752 -4.183 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.924 -3.880 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.293 -4.474 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.626 -1.687 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.865 -0.820 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.270 -1.799 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.043 -2.484 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.625 -1.318 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.716 -3.001 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.394 -2.660 -1.625 1.00 0.00 H new ATOM 580 N ARG A 40 -6.769 -5.395 -3.452 1.00 0.00 N ATOM 581 CA ARG A 40 -7.534 -6.607 -3.730 1.00 0.00 C ATOM 582 C ARG A 40 -6.952 -7.359 -4.913 1.00 0.00 C ATOM 583 O ARG A 40 -6.618 -8.539 -4.809 1.00 0.00 O ATOM 584 CB ARG A 40 -8.999 -6.261 -3.998 1.00 0.00 C ATOM 585 CG ARG A 40 -9.924 -7.467 -3.959 1.00 0.00 C ATOM 586 CD ARG A 40 -11.036 -7.353 -4.991 1.00 0.00 C ATOM 587 NE ARG A 40 -11.191 -8.583 -5.765 1.00 0.00 N ATOM 588 CZ ARG A 40 -10.362 -8.958 -6.736 1.00 0.00 C ATOM 589 NH1 ARG A 40 -9.319 -8.202 -7.055 1.00 0.00 N ATOM 590 NH2 ARG A 40 -10.577 -10.092 -7.390 1.00 0.00 N ATOM 0 H ARG A 40 -7.308 -4.532 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.476 -7.251 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.333 -5.533 -3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.079 -5.784 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.348 -8.374 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.359 -7.561 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.975 -7.120 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.821 -6.524 -5.666 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.982 -9.190 -5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.150 -7.329 -6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.686 -8.494 -7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.378 -10.676 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.942 -10.380 -8.134 1.00 0.00 H new ATOM 604 N GLN A 41 -6.839 -6.675 -6.037 1.00 0.00 N ATOM 605 CA GLN A 41 -6.300 -7.289 -7.238 1.00 0.00 C ATOM 606 C GLN A 41 -4.786 -7.441 -7.144 1.00 0.00 C ATOM 607 O GLN A 41 -4.213 -8.389 -7.680 1.00 0.00 O ATOM 608 CB GLN A 41 -6.673 -6.468 -8.474 1.00 0.00 C ATOM 609 CG GLN A 41 -6.249 -5.011 -8.387 1.00 0.00 C ATOM 610 CD GLN A 41 -5.298 -4.611 -9.498 1.00 0.00 C ATOM 611 OE1 GLN A 41 -5.703 -4.003 -10.489 1.00 0.00 O ATOM 612 NE2 GLN A 41 -4.024 -4.951 -9.337 1.00 0.00 N ATOM 0 H GLN A 41 -7.112 -5.698 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.737 -8.283 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.213 -6.920 -9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.752 -6.516 -8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.134 -4.376 -8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.771 -4.833 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.733 -5.455 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.337 -4.708 -10.051 1.00 0.00 H new ATOM 621 N ASP A 42 -4.142 -6.500 -6.461 1.00 0.00 N ATOM 622 CA ASP A 42 -2.693 -6.531 -6.298 1.00 0.00 C ATOM 623 C ASP A 42 -2.261 -7.767 -5.516 1.00 0.00 C ATOM 624 O ASP A 42 -1.414 -8.537 -5.970 1.00 0.00 O ATOM 625 CB ASP A 42 -2.212 -5.267 -5.583 1.00 0.00 C ATOM 626 CG ASP A 42 -0.701 -5.208 -5.465 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.145 -5.934 -4.616 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.076 -4.436 -6.222 1.00 0.00 O ATOM 0 H ASP A 42 -4.600 -5.707 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.241 -6.573 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.566 -4.390 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.653 -5.226 -4.587 1.00 0.00 H new ATOM 633 N LEU A 43 -2.850 -7.952 -4.340 1.00 0.00 N ATOM 634 CA LEU A 43 -2.528 -9.095 -3.493 1.00 0.00 C ATOM 635 C LEU A 43 -3.421 -10.291 -3.817 1.00 0.00 C ATOM 636 O LEU A 43 -3.115 -11.422 -3.441 1.00 0.00 O ATOM 637 CB LEU A 43 -2.677 -8.719 -2.017 1.00 0.00 C ATOM 638 CG LEU A 43 -1.584 -7.800 -1.469 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.154 -6.856 -0.422 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.444 -8.620 -0.886 1.00 0.00 C ATOM 0 H LEU A 43 -3.554 -7.325 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.494 -9.377 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.643 -8.233 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.692 -9.634 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.193 -7.201 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.361 -6.210 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.937 -6.245 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.573 -7.435 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.325 -7.951 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.822 -9.244 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.017 -9.254 -1.663 1.00 0.00 H new ATOM 652 N GLU A 44 -4.525 -10.037 -4.515 1.00 0.00 N ATOM 653 CA GLU A 44 -5.457 -11.096 -4.885 1.00 0.00 C ATOM 654 C GLU A 44 -6.071 -11.735 -3.643 1.00 0.00 C ATOM 655 O GLU A 44 -5.672 -12.823 -3.229 1.00 0.00 O ATOM 656 CB GLU A 44 -4.749 -12.161 -5.726 1.00 0.00 C ATOM 657 CG GLU A 44 -4.856 -11.923 -7.223 1.00 0.00 C ATOM 658 CD GLU A 44 -5.022 -13.209 -8.008 1.00 0.00 C ATOM 659 OE1 GLU A 44 -4.680 -14.282 -7.467 1.00 0.00 O ATOM 660 OE2 GLU A 44 -5.496 -13.144 -9.161 1.00 0.00 O ATOM 0 H GLU A 44 -4.795 -9.107 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.257 -10.652 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.696 -12.193 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.171 -13.138 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.704 -11.268 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.963 -11.403 -7.569 1.00 0.00 H new ATOM 667 N ALA A 45 -7.045 -11.050 -3.053 1.00 0.00 N ATOM 668 CA ALA A 45 -7.714 -11.547 -1.857 1.00 0.00 C ATOM 669 C ALA A 45 -9.126 -12.028 -2.178 1.00 0.00 C ATOM 670 O ALA A 45 -9.608 -11.869 -3.300 1.00 0.00 O ATOM 671 CB ALA A 45 -7.754 -10.466 -0.788 1.00 0.00 C ATOM 0 H ALA A 45 -7.389 -10.149 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.146 -12.397 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.256 -10.851 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.737 -10.171 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.298 -9.600 -1.166 1.00 0.00 H new ATOM 677 N GLU A 46 -9.785 -12.616 -1.184 1.00 0.00 N ATOM 678 CA GLU A 46 -11.142 -13.119 -1.358 1.00 0.00 C ATOM 679 C GLU A 46 -12.167 -12.019 -1.102 1.00 0.00 C ATOM 680 O GLU A 46 -12.973 -11.694 -1.973 1.00 0.00 O ATOM 681 CB GLU A 46 -11.395 -14.298 -0.417 1.00 0.00 C ATOM 682 CG GLU A 46 -10.641 -15.560 -0.805 1.00 0.00 C ATOM 683 CD GLU A 46 -11.006 -16.747 0.064 1.00 0.00 C ATOM 684 OE1 GLU A 46 -12.206 -16.918 0.363 1.00 0.00 O ATOM 685 OE2 GLU A 46 -10.091 -17.506 0.447 1.00 0.00 O ATOM 0 H GLU A 46 -9.400 -12.756 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.249 -13.457 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.110 -14.012 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.463 -14.514 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.852 -15.799 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.569 -15.376 -0.731 1.00 0.00 H new ATOM 692 N HIS A 47 -12.128 -11.451 0.099 1.00 0.00 N ATOM 693 CA HIS A 47 -13.052 -10.386 0.470 1.00 0.00 C ATOM 694 C HIS A 47 -12.307 -9.219 1.111 1.00 0.00 C ATOM 695 O HIS A 47 -11.542 -9.403 2.057 1.00 0.00 O ATOM 696 CB HIS A 47 -14.114 -10.919 1.435 1.00 0.00 C ATOM 697 CG HIS A 47 -15.385 -10.128 1.420 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.488 -8.857 1.946 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.614 -10.434 0.939 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.724 -8.416 1.789 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.427 -9.353 1.180 1.00 0.00 N ATOM 0 H HIS A 47 -11.467 -11.710 0.831 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.540 -10.029 -0.437 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.337 -11.955 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.707 -10.919 2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.901 -11.356 0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.096 -7.453 2.105 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.413 -9.285 0.929 1.00 0.00 H new ATOM 710 N VAL A 48 -12.534 -8.019 0.585 1.00 0.00 N ATOM 711 CA VAL A 48 -11.883 -6.824 1.105 1.00 0.00 C ATOM 712 C VAL A 48 -12.900 -5.725 1.397 1.00 0.00 C ATOM 713 O VAL A 48 -13.875 -5.558 0.664 1.00 0.00 O ATOM 714 CB VAL A 48 -10.831 -6.284 0.119 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.687 -7.273 -0.038 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.469 -5.976 -1.227 1.00 0.00 C ATOM 0 H VAL A 48 -13.163 -7.850 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.388 -7.113 2.032 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.424 -5.357 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.954 -6.873 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.212 -7.437 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.073 -8.219 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.710 -5.595 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.906 -6.886 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.249 -5.226 -1.097 1.00 0.00 H new ATOM 726 N GLU A 49 -12.664 -4.979 2.470 1.00 0.00 N ATOM 727 CA GLU A 49 -13.558 -3.894 2.859 1.00 0.00 C ATOM 728 C GLU A 49 -12.772 -2.617 3.137 1.00 0.00 C ATOM 729 O GLU A 49 -11.656 -2.663 3.655 1.00 0.00 O ATOM 730 CB GLU A 49 -14.366 -4.290 4.097 1.00 0.00 C ATOM 731 CG GLU A 49 -15.789 -3.756 4.091 1.00 0.00 C ATOM 732 CD GLU A 49 -15.951 -2.520 4.953 1.00 0.00 C ATOM 733 OE1 GLU A 49 -15.019 -1.690 4.983 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.012 -2.381 5.597 1.00 0.00 O ATOM 0 H GLU A 49 -11.861 -5.105 3.086 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.243 -3.705 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.395 -5.377 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.854 -3.925 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.081 -3.521 3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.466 -4.533 4.445 1.00 0.00 H new ATOM 741 N VAL A 50 -13.361 -1.478 2.790 1.00 0.00 N ATOM 742 CA VAL A 50 -12.713 -0.188 3.002 1.00 0.00 C ATOM 743 C VAL A 50 -13.615 0.757 3.790 1.00 0.00 C ATOM 744 O VAL A 50 -14.837 0.610 3.790 1.00 0.00 O ATOM 745 CB VAL A 50 -12.329 0.474 1.664 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.567 0.749 0.824 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.543 1.754 1.906 1.00 0.00 C ATOM 0 H VAL A 50 -14.285 -1.421 2.361 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.806 -0.378 3.575 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.692 -0.216 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.273 1.216 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.082 -0.189 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.235 1.417 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.281 2.206 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.151 2.451 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.633 1.523 2.459 1.00 0.00 H new ATOM 757 N GLU A 51 -13.002 1.728 4.459 1.00 0.00 N ATOM 758 CA GLU A 51 -13.747 2.700 5.251 1.00 0.00 C ATOM 759 C GLU A 51 -13.278 4.119 4.951 1.00 0.00 C ATOM 760 O GLU A 51 -12.299 4.322 4.234 1.00 0.00 O ATOM 761 CB GLU A 51 -13.592 2.398 6.745 1.00 0.00 C ATOM 762 CG GLU A 51 -14.895 2.002 7.422 1.00 0.00 C ATOM 763 CD GLU A 51 -15.912 3.126 7.433 1.00 0.00 C ATOM 764 OE1 GLU A 51 -15.680 4.130 8.140 1.00 0.00 O ATOM 765 OE2 GLU A 51 -16.940 3.003 6.734 1.00 0.00 O ATOM 0 H GLU A 51 -11.991 1.863 4.468 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.800 2.623 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.867 1.594 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.184 3.277 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.319 1.139 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.688 1.694 8.447 1.00 0.00 H new ATOM 772 N ASP A 52 -13.986 5.097 5.503 1.00 0.00 N ATOM 773 CA ASP A 52 -13.647 6.499 5.293 1.00 0.00 C ATOM 774 C ASP A 52 -14.050 7.340 6.501 1.00 0.00 C ATOM 775 O ASP A 52 -15.184 7.263 6.974 1.00 0.00 O ATOM 776 CB ASP A 52 -14.339 7.019 4.031 1.00 0.00 C ATOM 777 CG ASP A 52 -14.108 8.503 3.807 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.006 8.988 4.133 1.00 0.00 O ATOM 779 OD2 ASP A 52 -15.031 9.177 3.304 1.00 0.00 O ATOM 0 H ASP A 52 -14.799 4.945 6.100 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.567 6.580 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.975 6.464 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.410 6.829 4.104 1.00 0.00 H new ATOM 904 N SER A 61 -8.839 10.635 5.254 1.00 0.00 N ATOM 905 CA SER A 61 -8.348 9.376 5.803 1.00 0.00 C ATOM 906 C SER A 61 -9.215 8.208 5.345 1.00 0.00 C ATOM 907 O SER A 61 -10.409 8.371 5.091 1.00 0.00 O ATOM 908 CB SER A 61 -8.320 9.438 7.331 1.00 0.00 C ATOM 909 OG SER A 61 -7.409 10.423 7.786 1.00 0.00 O ATOM 0 HA SER A 61 -7.334 9.219 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.319 9.661 7.707 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.038 8.465 7.732 1.00 0.00 H new ATOM 0 HG SER A 61 -7.649 10.695 8.697 1.00 0.00 H new ATOM 915 N PHE A 62 -8.606 7.031 5.239 1.00 0.00 N ATOM 916 CA PHE A 62 -9.324 5.837 4.811 1.00 0.00 C ATOM 917 C PHE A 62 -8.719 4.583 5.436 1.00 0.00 C ATOM 918 O PHE A 62 -7.529 4.545 5.749 1.00 0.00 O ATOM 919 CB PHE A 62 -9.299 5.720 3.285 1.00 0.00 C ATOM 920 CG PHE A 62 -9.996 6.850 2.584 1.00 0.00 C ATOM 921 CD1 PHE A 62 -11.370 6.828 2.402 1.00 0.00 C ATOM 922 CD2 PHE A 62 -9.278 7.935 2.107 1.00 0.00 C ATOM 923 CE1 PHE A 62 -12.014 7.866 1.757 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.917 8.975 1.461 1.00 0.00 C ATOM 925 CZ PHE A 62 -11.288 8.941 1.285 1.00 0.00 C ATOM 0 H PHE A 62 -7.618 6.879 5.443 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.357 5.927 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.263 5.679 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.766 4.779 2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.944 5.990 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.207 7.968 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.085 7.836 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.346 9.815 1.093 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.789 9.753 0.780 1.00 0.00 H new ATOM 935 N ARG A 63 -9.548 3.559 5.613 1.00 0.00 N ATOM 936 CA ARG A 63 -9.097 2.301 6.198 1.00 0.00 C ATOM 937 C ARG A 63 -9.278 1.150 5.213 1.00 0.00 C ATOM 938 O ARG A 63 -10.367 0.946 4.677 1.00 0.00 O ATOM 939 CB ARG A 63 -9.864 2.010 7.489 1.00 0.00 C ATOM 940 CG ARG A 63 -9.437 2.880 8.660 1.00 0.00 C ATOM 941 CD ARG A 63 -9.480 2.111 9.971 1.00 0.00 C ATOM 942 NE ARG A 63 -10.793 2.189 10.608 1.00 0.00 N ATOM 943 CZ ARG A 63 -11.252 3.271 11.231 1.00 0.00 C ATOM 944 NH1 ARG A 63 -10.508 4.369 11.303 1.00 0.00 N ATOM 945 NH2 ARG A 63 -12.457 3.257 11.784 1.00 0.00 N ATOM 0 H ARG A 63 -10.536 3.576 5.360 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.036 2.395 6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.929 2.155 7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.725 0.962 7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.427 3.252 8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.091 3.750 8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.228 1.067 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.724 2.507 10.649 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.393 1.365 10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.580 4.385 10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.864 5.196 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.032 2.416 11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.809 4.087 12.262 1.00 0.00 H new ATOM 959 N VAL A 64 -8.205 0.405 4.976 1.00 0.00 N ATOM 960 CA VAL A 64 -8.247 -0.722 4.053 1.00 0.00 C ATOM 961 C VAL A 64 -8.290 -2.051 4.801 1.00 0.00 C ATOM 962 O VAL A 64 -7.582 -2.242 5.789 1.00 0.00 O ATOM 963 CB VAL A 64 -7.031 -0.721 3.108 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.069 0.493 2.191 1.00 0.00 C ATOM 965 CG2 VAL A 64 -5.737 -0.757 3.904 1.00 0.00 C ATOM 0 H VAL A 64 -7.295 0.561 5.410 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.158 -0.610 3.465 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.074 -1.617 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.202 0.477 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.981 0.470 1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.051 1.403 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.889 -0.756 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.683 0.119 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.710 -1.660 4.514 1.00 0.00 H new ATOM 975 N LEU A 65 -9.127 -2.965 4.321 1.00 0.00 N ATOM 976 CA LEU A 65 -9.264 -4.278 4.941 1.00 0.00 C ATOM 977 C LEU A 65 -9.212 -5.381 3.888 1.00 0.00 C ATOM 978 O LEU A 65 -9.881 -5.300 2.858 1.00 0.00 O ATOM 979 CB LEU A 65 -10.577 -4.363 5.723 1.00 0.00 C ATOM 980 CG LEU A 65 -10.687 -5.550 6.683 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.857 -6.848 5.909 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.465 -5.621 7.588 1.00 0.00 C ATOM 0 H LEU A 65 -9.721 -2.821 3.504 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.431 -4.417 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.702 -3.442 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.402 -4.413 5.013 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.568 -5.406 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.933 -7.681 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.763 -6.796 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.996 -6.999 5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.561 -6.471 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.568 -5.741 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.389 -4.702 8.170 1.00 0.00 H new ATOM 994 N VAL A 66 -8.413 -6.408 4.154 1.00 0.00 N ATOM 995 CA VAL A 66 -8.274 -7.526 3.227 1.00 0.00 C ATOM 996 C VAL A 66 -8.252 -8.858 3.968 1.00 0.00 C ATOM 997 O VAL A 66 -7.711 -8.959 5.069 1.00 0.00 O ATOM 998 CB VAL A 66 -6.991 -7.399 2.385 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.960 -8.459 1.294 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.881 -6.004 1.786 1.00 0.00 C ATOM 0 H VAL A 66 -7.852 -6.490 5.002 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.140 -7.497 2.566 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.133 -7.558 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.046 -8.353 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.988 -9.449 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.824 -8.335 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.968 -5.933 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.743 -5.813 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.853 -5.265 2.587 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.843 -9.878 3.355 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.891 -11.206 3.954 1.00 0.00 C ATOM 1012 C VAL A 67 -8.555 -12.282 2.927 1.00 0.00 C ATOM 1013 O VAL A 67 -9.240 -12.423 1.914 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.279 -11.501 4.555 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.263 -12.815 5.321 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.725 -10.357 5.453 1.00 0.00 C ATOM 0 H VAL A 67 -9.295 -9.810 2.443 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.148 -11.222 4.751 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.996 -11.593 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.252 -13.005 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.991 -13.626 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.534 -12.756 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.707 -10.582 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.008 -10.230 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.780 -9.437 4.870 1.00 0.00 H new ATOM 1026 N SER A 68 -7.496 -13.040 3.195 1.00 0.00 N ATOM 1027 CA SER A 68 -7.067 -14.104 2.293 1.00 0.00 C ATOM 1028 C SER A 68 -5.815 -14.795 2.822 1.00 0.00 C ATOM 1029 O SER A 68 -5.344 -14.493 3.920 1.00 0.00 O ATOM 1030 CB SER A 68 -6.801 -13.545 0.894 1.00 0.00 C ATOM 1031 OG SER A 68 -7.261 -14.436 -0.109 1.00 0.00 O ATOM 0 H SER A 68 -6.919 -12.937 4.030 1.00 0.00 H new ATOM 0 HA SER A 68 -7.870 -14.839 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.298 -12.581 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.733 -13.369 0.766 1.00 0.00 H new ATOM 0 HG SER A 68 -6.617 -14.458 -0.847 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.278 -15.721 2.035 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.078 -16.453 2.423 1.00 0.00 C ATOM 1039 C ALA A 69 -2.821 -15.835 1.810 1.00 0.00 C ATOM 1040 O ALA A 69 -1.713 -16.331 2.020 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.200 -17.914 2.017 1.00 0.00 C ATOM 0 H ALA A 69 -5.655 -15.983 1.124 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.984 -16.390 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.298 -18.450 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.064 -18.358 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.325 -17.982 0.936 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.994 -14.754 1.052 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.868 -14.080 0.417 1.00 0.00 C ATOM 1049 C LYS A 70 -0.864 -13.598 1.459 1.00 0.00 C ATOM 1050 O LYS A 70 0.347 -13.724 1.274 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.364 -12.897 -0.419 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.248 -12.124 -1.106 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.407 -13.026 -1.995 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.195 -13.519 -3.198 1.00 0.00 C ATOM 1055 NZ LYS A 70 -0.876 -14.936 -3.527 1.00 0.00 N ATOM 0 H LYS A 70 -3.902 -14.328 0.864 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.368 -14.795 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.059 -13.263 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.922 -12.217 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.677 -11.320 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.612 -11.658 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.475 -12.483 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.053 -13.879 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.262 -13.424 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.976 -12.888 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.433 -15.235 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.137 -15.022 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.109 -15.542 -2.715 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.376 -13.046 2.553 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.525 -12.544 3.627 1.00 0.00 C ATOM 1071 C PHE A 71 0.055 -13.694 4.444 1.00 0.00 C ATOM 1072 O PHE A 71 1.158 -13.592 4.982 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.319 -11.607 4.537 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.010 -10.495 3.799 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.278 -9.567 3.075 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.390 -10.380 3.830 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.912 -8.545 2.395 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -4.029 -9.359 3.151 1.00 0.00 C ATOM 1079 CZ PHE A 71 -3.289 -8.440 2.434 1.00 0.00 C ATOM 0 H PHE A 71 -2.376 -12.934 2.720 1.00 0.00 H new ATOM 0 HA PHE A 71 0.299 -11.991 3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.063 -12.188 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.645 -11.177 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.201 -9.644 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.973 -11.096 4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.331 -7.828 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.106 -9.280 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.786 -7.640 1.905 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.695 -14.788 4.533 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.256 -15.958 5.285 1.00 0.00 C ATOM 1091 C GLU A 72 1.056 -16.502 4.727 1.00 0.00 C ATOM 1092 O GLU A 72 1.977 -16.822 5.479 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.334 -17.044 5.248 1.00 0.00 C ATOM 1094 CG GLU A 72 -2.089 -17.195 6.558 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.355 -18.066 7.558 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.776 -19.091 7.140 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.359 -17.726 8.759 1.00 0.00 O ATOM 0 H GLU A 72 -1.610 -14.889 4.093 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.090 -15.657 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.044 -16.813 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.870 -17.997 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.254 -16.209 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.071 -17.625 6.360 1.00 0.00 H new ATOM 1104 N GLY A 73 1.134 -16.606 3.405 1.00 0.00 N ATOM 1105 CA GLY A 73 2.336 -17.112 2.769 1.00 0.00 C ATOM 1106 C GLY A 73 3.531 -16.203 2.982 1.00 0.00 C ATOM 1107 O GLY A 73 4.656 -16.676 3.141 1.00 0.00 O ATOM 0 H GLY A 73 0.385 -16.349 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.562 -18.103 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.157 -17.227 1.700 1.00 0.00 H new ATOM 1111 N LYS A 74 3.286 -14.898 2.986 1.00 0.00 N ATOM 1112 CA LYS A 74 4.351 -13.921 3.182 1.00 0.00 C ATOM 1113 C LYS A 74 4.523 -13.592 4.663 1.00 0.00 C ATOM 1114 O LYS A 74 3.599 -13.762 5.458 1.00 0.00 O ATOM 1115 CB LYS A 74 4.051 -12.644 2.395 1.00 0.00 C ATOM 1116 CG LYS A 74 4.090 -12.834 0.888 1.00 0.00 C ATOM 1117 CD LYS A 74 3.052 -11.972 0.190 1.00 0.00 C ATOM 1118 CE LYS A 74 3.251 -11.971 -1.317 1.00 0.00 C ATOM 1119 NZ LYS A 74 2.356 -10.994 -1.996 1.00 0.00 N ATOM 0 H LYS A 74 2.360 -14.492 2.856 1.00 0.00 H new ATOM 0 HA LYS A 74 5.281 -14.356 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.066 -12.274 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.773 -11.877 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.083 -12.584 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.914 -13.883 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.054 -12.340 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.113 -10.951 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.289 -11.731 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.061 -12.970 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.940 -11.434 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.597 -10.708 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.905 -10.156 -2.276 1.00 0.00 H new ATOM 1133 N PRO A 75 5.717 -13.113 5.055 1.00 0.00 N ATOM 1134 CA PRO A 75 6.007 -12.759 6.449 1.00 0.00 C ATOM 1135 C PRO A 75 4.965 -11.812 7.034 1.00 0.00 C ATOM 1136 O PRO A 75 4.019 -11.415 6.354 1.00 0.00 O ATOM 1137 CB PRO A 75 7.370 -12.069 6.365 1.00 0.00 C ATOM 1138 CG PRO A 75 8.001 -12.624 5.135 1.00 0.00 C ATOM 1139 CD PRO A 75 6.875 -12.877 4.171 1.00 0.00 C ATOM 0 HA PRO A 75 5.997 -13.632 7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.262 -10.986 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.974 -12.277 7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.723 -11.923 4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.541 -13.545 5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.711 -12.025 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.077 -13.738 3.534 1.00 0.00 H new ATOM 1147 N LEU A 76 5.146 -11.452 8.301 1.00 0.00 N ATOM 1148 CA LEU A 76 4.221 -10.551 8.980 1.00 0.00 C ATOM 1149 C LEU A 76 4.464 -9.105 8.559 1.00 0.00 C ATOM 1150 O LEU A 76 3.521 -8.361 8.290 1.00 0.00 O ATOM 1151 CB LEU A 76 4.368 -10.684 10.497 1.00 0.00 C ATOM 1152 CG LEU A 76 3.093 -10.408 11.296 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.589 -8.998 11.028 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.021 -11.433 10.959 1.00 0.00 C ATOM 0 H LEU A 76 5.925 -11.770 8.878 1.00 0.00 H new ATOM 0 HA LEU A 76 3.206 -10.829 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.712 -11.693 10.727 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.145 -9.998 10.833 1.00 0.00 H new ATOM 0 HG LEU A 76 3.327 -10.492 12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.682 -8.820 11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.352 -8.277 11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.372 -8.885 9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.121 -11.221 11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.790 -11.381 9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.383 -12.432 11.204 1.00 0.00 H new ATOM 1166 N LEU A 77 5.733 -8.715 8.504 1.00 0.00 N ATOM 1167 CA LEU A 77 6.099 -7.357 8.116 1.00 0.00 C ATOM 1168 C LEU A 77 5.945 -7.161 6.611 1.00 0.00 C ATOM 1169 O LEU A 77 5.644 -6.061 6.147 1.00 0.00 O ATOM 1170 CB LEU A 77 7.539 -7.055 8.536 1.00 0.00 C ATOM 1171 CG LEU A 77 8.602 -7.951 7.897 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.861 -7.153 7.592 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.922 -9.128 8.807 1.00 0.00 C ATOM 0 H LEU A 77 6.525 -9.319 8.723 1.00 0.00 H new ATOM 0 HA LEU A 77 5.426 -6.667 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.764 -6.018 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.612 -7.147 9.620 1.00 0.00 H new ATOM 0 HG LEU A 77 8.207 -8.339 6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.605 -7.807 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.621 -6.344 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.260 -6.736 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.680 -9.755 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.297 -8.759 9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.019 -9.714 8.975 1.00 0.00 H new ATOM 1185 N GLN A 78 6.152 -8.234 5.855 1.00 0.00 N ATOM 1186 CA GLN A 78 6.036 -8.179 4.402 1.00 0.00 C ATOM 1187 C GLN A 78 4.616 -7.814 3.981 1.00 0.00 C ATOM 1188 O GLN A 78 4.412 -6.928 3.151 1.00 0.00 O ATOM 1189 CB GLN A 78 6.433 -9.523 3.788 1.00 0.00 C ATOM 1190 CG GLN A 78 7.909 -9.622 3.444 1.00 0.00 C ATOM 1191 CD GLN A 78 8.283 -8.801 2.226 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.419 -7.580 2.304 1.00 0.00 O ATOM 1193 NE2 GLN A 78 8.448 -9.469 1.090 1.00 0.00 N ATOM 0 H GLN A 78 6.401 -9.152 6.224 1.00 0.00 H new ATOM 0 HA GLN A 78 6.712 -7.406 4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.177 -10.321 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.846 -9.688 2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.500 -9.288 4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.167 -10.666 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.325 -10.481 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.698 -8.970 0.236 1.00 0.00 H new ATOM 1202 N ARG A 79 3.637 -8.502 4.560 1.00 0.00 N ATOM 1203 CA ARG A 79 2.235 -8.249 4.244 1.00 0.00 C ATOM 1204 C ARG A 79 1.857 -6.805 4.561 1.00 0.00 C ATOM 1205 O ARG A 79 1.104 -6.174 3.820 1.00 0.00 O ATOM 1206 CB ARG A 79 1.334 -9.208 5.025 1.00 0.00 C ATOM 1207 CG ARG A 79 1.627 -9.239 6.515 1.00 0.00 C ATOM 1208 CD ARG A 79 0.555 -10.003 7.278 1.00 0.00 C ATOM 1209 NE ARG A 79 0.798 -11.443 7.268 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.233 -12.295 8.119 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.607 -11.857 9.050 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.508 -13.591 8.041 1.00 0.00 N ATOM 0 H ARG A 79 3.788 -9.238 5.250 1.00 0.00 H new ATOM 0 HA ARG A 79 2.093 -8.416 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.294 -8.920 4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.449 -10.213 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.598 -9.704 6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.690 -8.220 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.521 -9.648 8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.420 -9.797 6.837 1.00 0.00 H new ATOM 0 HE ARG A 79 1.438 -11.817 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.822 -10.862 9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.037 -12.516 9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.153 -13.934 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.075 -14.244 8.694 1.00 0.00 H new ATOM 1226 N HIS A 80 2.384 -6.290 5.667 1.00 0.00 N ATOM 1227 CA HIS A 80 2.101 -4.921 6.082 1.00 0.00 C ATOM 1228 C HIS A 80 2.771 -3.919 5.147 1.00 0.00 C ATOM 1229 O HIS A 80 2.190 -2.889 4.805 1.00 0.00 O ATOM 1230 CB HIS A 80 2.576 -4.693 7.518 1.00 0.00 C ATOM 1231 CG HIS A 80 1.535 -5.002 8.549 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.571 -4.498 9.831 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.421 -5.771 8.480 1.00 0.00 C ATOM 1234 CE1 HIS A 80 0.527 -4.942 10.508 1.00 0.00 C ATOM 1235 NE2 HIS A 80 -0.186 -5.716 9.711 1.00 0.00 N ATOM 0 H HIS A 80 3.009 -6.800 6.292 1.00 0.00 H new ATOM 0 HA HIS A 80 1.023 -4.769 6.035 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.454 -5.311 7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.888 -3.654 7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.075 -6.323 7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.296 -4.711 11.538 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.049 -6.196 9.968 1.00 0.00 H new ATOM 1244 N ARG A 81 3.997 -4.229 4.738 1.00 0.00 N ATOM 1245 CA ARG A 81 4.746 -3.356 3.842 1.00 0.00 C ATOM 1246 C ARG A 81 4.186 -3.420 2.424 1.00 0.00 C ATOM 1247 O ARG A 81 4.216 -2.434 1.689 1.00 0.00 O ATOM 1248 CB ARG A 81 6.227 -3.744 3.839 1.00 0.00 C ATOM 1249 CG ARG A 81 7.086 -2.868 4.737 1.00 0.00 C ATOM 1250 CD ARG A 81 8.435 -3.510 5.014 1.00 0.00 C ATOM 1251 NE ARG A 81 8.888 -3.262 6.381 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.149 -3.413 6.783 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.083 -3.809 5.927 1.00 0.00 N ATOM 1254 NH2 ARG A 81 10.476 -3.166 8.044 1.00 0.00 N ATOM 0 H ARG A 81 4.492 -5.077 5.013 1.00 0.00 H new ATOM 0 HA ARG A 81 4.647 -2.333 4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.323 -4.782 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.607 -3.688 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.234 -1.896 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.566 -2.690 5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.367 -4.584 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.173 -3.122 4.311 1.00 0.00 H new ATOM 0 HE ARG A 81 8.199 -2.955 7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.837 -3.999 4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.047 -3.923 6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.762 -2.861 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.441 -3.281 8.353 1.00 0.00 H new ATOM 1268 N LEU A 82 3.676 -4.588 2.047 1.00 0.00 N ATOM 1269 CA LEU A 82 3.109 -4.781 0.717 1.00 0.00 C ATOM 1270 C LEU A 82 1.953 -3.817 0.473 1.00 0.00 C ATOM 1271 O LEU A 82 1.857 -3.204 -0.591 1.00 0.00 O ATOM 1272 CB LEU A 82 2.632 -6.226 0.550 1.00 0.00 C ATOM 1273 CG LEU A 82 3.666 -7.185 -0.038 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.074 -8.577 -0.196 1.00 0.00 C ATOM 1275 CD2 LEU A 82 4.176 -6.666 -1.375 1.00 0.00 C ATOM 0 H LEU A 82 3.644 -5.415 2.643 1.00 0.00 H new ATOM 0 HA LEU A 82 3.888 -4.576 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.320 -6.604 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.750 -6.230 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 82 4.509 -7.246 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.825 -9.246 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.759 -8.951 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.213 -8.533 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.911 -7.362 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.343 -6.574 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.640 -5.690 -1.233 1.00 0.00 H new ATOM 1287 N VAL A 83 1.077 -3.687 1.463 1.00 0.00 N ATOM 1288 CA VAL A 83 -0.073 -2.798 1.355 1.00 0.00 C ATOM 1289 C VAL A 83 0.371 -1.342 1.241 1.00 0.00 C ATOM 1290 O VAL A 83 -0.133 -0.594 0.404 1.00 0.00 O ATOM 1291 CB VAL A 83 -1.014 -2.942 2.567 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.284 -2.131 2.358 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.345 -4.407 2.815 1.00 0.00 C ATOM 0 H VAL A 83 1.142 -4.187 2.350 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.612 -3.086 0.452 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.503 -2.553 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.936 -2.246 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.028 -1.079 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.800 -2.487 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.010 -4.489 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.836 -4.823 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.426 -4.959 3.013 1.00 0.00 H new ATOM 1303 N ASN A 84 1.316 -0.949 2.087 1.00 0.00 N ATOM 1304 CA ASN A 84 1.829 0.416 2.081 1.00 0.00 C ATOM 1305 C ASN A 84 2.567 0.714 0.780 1.00 0.00 C ATOM 1306 O ASN A 84 2.460 1.810 0.231 1.00 0.00 O ATOM 1307 CB ASN A 84 2.761 0.639 3.273 1.00 0.00 C ATOM 1308 CG ASN A 84 2.014 1.067 4.520 1.00 0.00 C ATOM 1309 OD1 ASN A 84 2.548 0.709 5.682 1.00 0.00 O flip ATOM 1310 ND2 ASN A 84 0.969 1.712 4.441 1.00 0.00 N flip ATOM 0 H ASN A 84 1.743 -1.557 2.786 1.00 0.00 H new ATOM 0 HA ASN A 84 0.981 1.096 2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.309 -0.280 3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.499 1.399 3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.594 1.966 3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.478 1.993 5.290 1.00 0.00 H new ATOM 1317 N GLU A 85 3.315 -0.270 0.292 1.00 0.00 N ATOM 1318 CA GLU A 85 4.071 -0.114 -0.945 1.00 0.00 C ATOM 1319 C GLU A 85 3.143 0.197 -2.115 1.00 0.00 C ATOM 1320 O GLU A 85 3.490 0.974 -3.005 1.00 0.00 O ATOM 1321 CB GLU A 85 4.876 -1.382 -1.239 1.00 0.00 C ATOM 1322 CG GLU A 85 6.151 -1.495 -0.420 1.00 0.00 C ATOM 1323 CD GLU A 85 7.348 -1.900 -1.257 1.00 0.00 C ATOM 1324 OE1 GLU A 85 8.024 -1.002 -1.801 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.611 -3.116 -1.368 1.00 0.00 O ATOM 0 H GLU A 85 3.414 -1.184 0.734 1.00 0.00 H new ATOM 0 HA GLU A 85 4.758 0.723 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.250 -2.253 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.131 -1.403 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.356 -0.538 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.004 -2.226 0.375 1.00 0.00 H new ATOM 1332 N CYS A 86 1.963 -0.414 -2.106 1.00 0.00 N ATOM 1333 CA CYS A 86 0.985 -0.202 -3.167 1.00 0.00 C ATOM 1334 C CYS A 86 0.564 1.262 -3.233 1.00 0.00 C ATOM 1335 O CYS A 86 0.692 1.910 -4.272 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.243 -1.087 -2.942 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.029 -1.660 -4.466 1.00 0.00 S ATOM 0 H CYS A 86 1.661 -1.060 -1.376 1.00 0.00 H new ATOM 0 HA CYS A 86 1.450 -0.472 -4.115 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.051 -1.953 -2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.975 -0.532 -2.355 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.055 -2.402 -4.173 1.00 0.00 H new ATOM 1343 N LEU A 87 0.062 1.780 -2.116 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.377 3.168 -2.046 1.00 0.00 C ATOM 1345 C LEU A 87 0.711 4.052 -1.443 1.00 0.00 C ATOM 1346 O LEU A 87 0.427 4.955 -0.657 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.659 3.279 -1.218 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.675 2.159 -1.445 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.609 2.037 -0.251 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.467 2.408 -2.720 1.00 0.00 C ATOM 0 H LEU A 87 -0.051 1.258 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.578 3.511 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.391 3.297 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.137 4.233 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.133 1.219 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.325 1.235 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.028 1.812 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.144 2.976 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.185 1.601 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.998 3.356 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.786 2.445 -3.570 1.00 0.00 H new ATOM 1362 N ALA A 88 1.958 3.783 -1.816 1.00 0.00 N ATOM 1363 CA ALA A 88 3.090 4.550 -1.312 1.00 0.00 C ATOM 1364 C ALA A 88 2.995 6.013 -1.730 1.00 0.00 C ATOM 1365 O ALA A 88 3.221 6.915 -0.925 1.00 0.00 O ATOM 1366 CB ALA A 88 4.397 3.944 -1.799 1.00 0.00 C ATOM 0 H ALA A 88 2.210 3.039 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 88 3.066 4.510 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.234 4.527 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.477 2.917 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.418 3.953 -2.889 1.00 0.00 H new ATOM 1372 N GLU A 89 2.664 6.242 -2.996 1.00 0.00 N ATOM 1373 CA GLU A 89 2.542 7.597 -3.522 1.00 0.00 C ATOM 1374 C GLU A 89 1.254 8.259 -3.042 1.00 0.00 C ATOM 1375 O GLU A 89 1.229 9.455 -2.753 1.00 0.00 O ATOM 1376 CB GLU A 89 2.578 7.577 -5.052 1.00 0.00 C ATOM 1377 CG GLU A 89 3.873 7.023 -5.622 1.00 0.00 C ATOM 1378 CD GLU A 89 4.110 7.455 -7.056 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.205 7.259 -7.893 1.00 0.00 O ATOM 1380 OE2 GLU A 89 5.203 7.988 -7.343 1.00 0.00 O ATOM 0 H GLU A 89 2.475 5.507 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 89 3.386 8.179 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.744 6.979 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.431 8.591 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.708 7.353 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.851 5.934 -5.573 1.00 0.00 H new ATOM 1387 N GLU A 90 0.184 7.475 -2.965 1.00 0.00 N ATOM 1388 CA GLU A 90 -1.111 7.984 -2.525 1.00 0.00 C ATOM 1389 C GLU A 90 -1.142 8.198 -1.014 1.00 0.00 C ATOM 1390 O GLU A 90 -1.857 9.068 -0.517 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.225 7.018 -2.935 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.712 7.221 -4.361 1.00 0.00 C ATOM 1393 CD GLU A 90 -3.048 5.915 -5.052 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -3.820 5.119 -4.476 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -2.540 5.686 -6.171 1.00 0.00 O ATOM 0 H GLU A 90 0.188 6.483 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.271 8.948 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.866 5.995 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.066 7.136 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.594 7.861 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.945 7.744 -4.932 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.371 7.394 -0.285 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.321 7.490 1.173 1.00 0.00 C ATOM 1404 C LEU A 91 -0.124 8.935 1.636 1.00 0.00 C ATOM 1405 O LEU A 91 -0.943 9.469 2.382 1.00 0.00 O ATOM 1406 CB LEU A 91 0.799 6.603 1.725 1.00 0.00 C ATOM 1407 CG LEU A 91 0.337 5.265 2.303 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.512 4.509 2.904 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.749 5.480 3.346 1.00 0.00 C ATOM 0 H LEU A 91 0.228 6.669 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.279 7.143 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.515 6.409 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.329 7.154 2.502 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.079 4.666 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.164 3.559 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.258 4.322 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.958 5.104 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.065 4.517 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.360 6.098 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.602 5.979 2.886 1.00 0.00 H new ATOM 1421 N PRO A 92 0.967 9.589 1.201 1.00 0.00 N ATOM 1422 CA PRO A 92 1.260 10.975 1.580 1.00 0.00 C ATOM 1423 C PRO A 92 0.035 11.879 1.488 1.00 0.00 C ATOM 1424 O PRO A 92 -0.115 12.820 2.267 1.00 0.00 O ATOM 1425 CB PRO A 92 2.313 11.396 0.556 1.00 0.00 C ATOM 1426 CG PRO A 92 3.022 10.135 0.205 1.00 0.00 C ATOM 1427 CD PRO A 92 2.002 9.030 0.312 1.00 0.00 C ATOM 0 HA PRO A 92 1.589 11.056 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.853 11.849 -0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.999 12.133 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.433 10.188 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.858 9.958 0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.592 8.769 -0.664 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.438 8.122 0.728 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.841 11.588 0.531 1.00 0.00 N ATOM 1436 CA HIS A 93 -2.055 12.375 0.340 1.00 0.00 C ATOM 1437 C HIS A 93 -3.085 12.058 1.418 1.00 0.00 C ATOM 1438 O HIS A 93 -3.879 12.917 1.805 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.649 12.105 -1.044 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.787 12.586 -2.170 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -2.112 13.671 -2.958 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.603 12.126 -2.640 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -1.168 13.854 -3.863 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.241 12.930 -3.691 1.00 0.00 N ATOM 0 H HIS A 93 -0.733 10.814 -0.124 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.790 13.430 0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.815 11.034 -1.156 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.624 12.587 -1.112 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.047 11.283 -2.258 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.156 14.628 -4.616 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.607 12.830 -4.249 1.00 0.00 H new ATOM 1453 N ILE A 94 -3.067 10.820 1.902 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.998 10.387 2.936 1.00 0.00 C ATOM 1455 C ILE A 94 -3.603 10.941 4.300 1.00 0.00 C ATOM 1456 O ILE A 94 -2.463 10.780 4.740 1.00 0.00 O ATOM 1457 CB ILE A 94 -4.066 8.850 3.025 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -4.229 8.239 1.632 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -5.207 8.420 3.936 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.527 8.621 0.953 1.00 0.00 C ATOM 0 H ILE A 94 -2.416 10.098 1.593 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.978 10.774 2.657 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.131 8.487 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.394 8.554 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.176 7.153 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.241 7.332 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.048 8.826 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.151 8.794 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.575 8.152 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.368 8.282 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.574 9.704 0.841 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.550 11.591 4.969 1.00 0.00 N ATOM 1473 CA HIS A 95 -4.298 12.163 6.286 1.00 0.00 C ATOM 1474 C HIS A 95 -4.074 11.061 7.316 1.00 0.00 C ATOM 1475 O HIS A 95 -3.245 11.195 8.216 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.471 13.047 6.715 1.00 0.00 C ATOM 1477 CG HIS A 95 -5.126 14.005 7.812 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -4.051 14.866 7.751 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -5.724 14.238 9.005 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.001 15.586 8.858 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -5.005 15.224 9.635 1.00 0.00 N ATOM 0 H HIS A 95 -5.498 11.734 4.621 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.397 12.774 6.226 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.827 13.609 5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.294 12.412 7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.603 13.741 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.264 16.342 9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.213 15.614 10.554 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.817 9.969 7.172 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.704 8.837 8.083 1.00 0.00 C ATOM 1492 C ALA A 96 -5.087 7.537 7.385 1.00 0.00 C ATOM 1493 O ALA A 96 -6.226 7.368 6.948 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.572 9.055 9.311 1.00 0.00 C ATOM 0 H ALA A 96 -5.506 9.844 6.430 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.664 8.759 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.476 8.200 9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.251 9.959 9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.613 9.162 9.006 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.128 6.624 7.278 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.365 5.340 6.628 1.00 0.00 C ATOM 1502 C PHE A 97 -4.096 4.184 7.586 1.00 0.00 C ATOM 1503 O PHE A 97 -3.094 4.175 8.299 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.481 5.206 5.387 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.800 4.002 4.548 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.325 2.749 4.901 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.574 4.123 3.405 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.616 1.639 4.130 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.868 3.018 2.629 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.389 1.774 2.992 1.00 0.00 C ATOM 0 H PHE A 97 -3.180 6.749 7.633 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.412 5.300 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.588 6.103 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.438 5.155 5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.720 2.638 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.952 5.093 3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.240 0.668 4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.471 3.127 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.618 0.909 2.388 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.000 3.209 7.595 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.863 2.045 8.464 1.00 0.00 C ATOM 1522 C GLU A 98 -4.898 0.755 7.651 1.00 0.00 C ATOM 1523 O GLU A 98 -5.724 0.599 6.751 1.00 0.00 O ATOM 1524 CB GLU A 98 -5.976 2.031 9.513 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.585 1.330 10.804 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.098 2.052 12.035 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -5.562 3.133 12.357 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -7.035 1.534 12.679 1.00 0.00 O ATOM 0 H GLU A 98 -5.836 3.202 7.010 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.899 2.110 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.264 3.058 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.854 1.539 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.976 0.313 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.499 1.254 10.858 1.00 0.00 H new ATOM 1535 N GLN A 99 -3.995 -0.166 7.972 1.00 0.00 N ATOM 1536 CA GLN A 99 -3.923 -1.442 7.269 1.00 0.00 C ATOM 1537 C GLN A 99 -4.155 -2.606 8.228 1.00 0.00 C ATOM 1538 O GLN A 99 -3.426 -2.775 9.204 1.00 0.00 O ATOM 1539 CB GLN A 99 -2.564 -1.594 6.586 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.390 -1.576 7.552 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.145 -0.959 6.946 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.259 -1.461 5.784 1.00 0.00 O flip ATOM 1543 NE2 GLN A 99 0.447 -0.042 7.514 1.00 0.00 N flip ATOM 0 H GLN A 99 -3.304 -0.053 8.713 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.707 -1.456 6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.550 -2.530 6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.439 -0.789 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.669 -1.019 8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.169 -2.595 7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.102 0.313 8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.283 0.363 7.093 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.176 -3.407 7.939 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.505 -4.558 8.772 1.00 0.00 C ATOM 1554 C LYS A 100 -5.758 -5.794 7.915 1.00 0.00 C ATOM 1555 O LYS A 100 -6.645 -5.798 7.062 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.735 -4.256 9.631 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.905 -5.209 10.804 1.00 0.00 C ATOM 1558 CD LYS A 100 -6.343 -4.619 12.087 1.00 0.00 C ATOM 1559 CE LYS A 100 -6.999 -5.231 13.315 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.662 -4.481 14.556 1.00 0.00 N ATOM 0 H LYS A 100 -5.790 -3.280 7.134 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.656 -4.759 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.663 -3.236 10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.626 -4.301 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.962 -5.436 10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.402 -6.151 10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.267 -4.788 12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.497 -3.540 12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.081 -5.243 13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.679 -6.268 13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.128 -4.930 15.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.632 -4.491 14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.990 -3.498 14.468 1.00 0.00 H new ATOM 1574 N THR A 101 -4.973 -6.840 8.149 1.00 0.00 N ATOM 1575 CA THR A 101 -5.111 -8.082 7.396 1.00 0.00 C ATOM 1576 C THR A 101 -5.456 -9.244 8.322 1.00 0.00 C ATOM 1577 O THR A 101 -5.054 -9.268 9.484 1.00 0.00 O ATOM 1578 CB THR A 101 -3.821 -8.388 6.636 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.806 -8.824 7.524 1.00 0.00 O ATOM 1580 CG2 THR A 101 -3.280 -7.199 5.871 1.00 0.00 C ATOM 0 H THR A 101 -4.235 -6.853 8.853 1.00 0.00 H new ATOM 0 HA THR A 101 -5.924 -7.956 6.682 1.00 0.00 H new ATOM 0 HB THR A 101 -4.085 -9.169 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.986 -8.314 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.364 -7.485 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.020 -6.868 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.067 -6.386 6.565 1.00 0.00 H new ATOM 1588 N LEU A 102 -6.204 -10.210 7.795 1.00 0.00 N ATOM 1589 CA LEU A 102 -6.604 -11.377 8.572 1.00 0.00 C ATOM 1590 C LEU A 102 -6.772 -12.597 7.672 1.00 0.00 C ATOM 1591 O LEU A 102 -7.073 -12.468 6.485 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.909 -11.096 9.322 1.00 0.00 C ATOM 1593 CG LEU A 102 -7.736 -10.585 10.753 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -9.090 -10.405 11.423 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.865 -11.538 11.557 1.00 0.00 C ATOM 0 H LEU A 102 -6.545 -10.207 6.834 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.817 -11.588 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.484 -10.362 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.500 -12.012 9.348 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.240 -9.615 10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.947 -10.041 12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.682 -9.684 10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.613 -11.361 11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.752 -11.159 12.573 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.333 -12.522 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.884 -11.617 11.089 1.00 0.00 H new ATOM 1607 N THR A 103 -6.574 -13.781 8.244 1.00 0.00 N ATOM 1608 CA THR A 103 -6.704 -15.023 7.492 1.00 0.00 C ATOM 1609 C THR A 103 -8.174 -15.391 7.298 1.00 0.00 C ATOM 1610 O THR A 103 -9.026 -15.021 8.104 1.00 0.00 O ATOM 1611 CB THR A 103 -5.974 -16.159 8.212 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.512 -16.360 9.507 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.489 -15.912 8.365 1.00 0.00 C ATOM 0 H THR A 103 -6.323 -13.906 9.225 1.00 0.00 H new ATOM 0 HA THR A 103 -6.252 -14.873 6.511 1.00 0.00 H new ATOM 0 HB THR A 103 -6.118 -17.039 7.585 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.033 -17.091 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.031 -16.755 8.883 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.035 -15.802 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.329 -15.001 8.942 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.489 -16.127 6.218 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.863 -16.543 5.921 1.00 0.00 C ATOM 1623 C PRO A 104 -10.526 -17.239 7.105 1.00 0.00 C ATOM 1624 O PRO A 104 -11.675 -16.953 7.442 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.696 -17.519 4.753 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.420 -17.113 4.101 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.532 -16.610 5.204 1.00 0.00 C ATOM 0 HA PRO A 104 -10.505 -15.692 5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.652 -18.551 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.534 -17.453 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.961 -17.956 3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.593 -16.337 3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.893 -17.401 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.875 -15.812 4.859 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.794 -18.154 7.733 1.00 0.00 N ATOM 1636 CA GLU A 105 -10.311 -18.891 8.880 1.00 0.00 C ATOM 1637 C GLU A 105 -10.683 -17.941 10.014 1.00 0.00 C ATOM 1638 O GLU A 105 -11.705 -18.120 10.676 1.00 0.00 O ATOM 1639 CB GLU A 105 -9.276 -19.909 9.365 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.626 -21.346 9.015 1.00 0.00 C ATOM 1641 CD GLU A 105 -8.418 -22.261 9.032 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -7.586 -22.163 8.106 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -8.304 -23.079 9.970 1.00 0.00 O ATOM 0 H GLU A 105 -8.841 -18.402 7.467 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.211 -19.421 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.307 -19.664 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.172 -19.822 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.368 -21.718 9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.084 -21.374 8.026 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.847 -16.931 10.231 1.00 0.00 N ATOM 1651 CA GLN A 106 -10.088 -15.953 11.285 1.00 0.00 C ATOM 1652 C GLN A 106 -11.393 -15.202 11.043 1.00 0.00 C ATOM 1653 O GLN A 106 -12.251 -15.127 11.923 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.925 -14.963 11.368 1.00 0.00 C ATOM 1655 CG GLN A 106 -7.719 -15.503 12.119 1.00 0.00 C ATOM 1656 CD GLN A 106 -7.986 -15.677 13.601 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -8.966 -15.155 14.133 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -7.112 -16.414 14.278 1.00 0.00 N ATOM 0 H GLN A 106 -8.997 -16.769 9.691 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.168 -16.489 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.620 -14.688 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.269 -14.052 11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.428 -16.462 11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.877 -14.825 11.982 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.313 -16.828 13.797 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.240 -16.566 15.279 1.00 0.00 H new ATOM 1667 N TRP A 107 -11.537 -14.647 9.843 1.00 0.00 N ATOM 1668 CA TRP A 107 -12.738 -13.901 9.485 1.00 0.00 C ATOM 1669 C TRP A 107 -13.967 -14.804 9.506 1.00 0.00 C ATOM 1670 O TRP A 107 -14.987 -14.464 10.104 1.00 0.00 O ATOM 1671 CB TRP A 107 -12.576 -13.268 8.103 1.00 0.00 C ATOM 1672 CG TRP A 107 -13.102 -11.869 8.036 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -14.348 -11.481 7.642 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -12.398 -10.671 8.380 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -14.462 -10.114 7.713 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -13.278 -9.593 8.165 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -11.109 -10.406 8.850 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.909 -8.273 8.402 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.743 -9.094 9.085 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -11.640 -8.041 8.862 1.00 0.00 C ATOM 0 H TRP A 107 -10.837 -14.700 9.103 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.880 -13.112 10.223 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -11.520 -13.267 7.831 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -13.094 -13.881 7.366 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -15.132 -12.151 7.321 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -15.293 -9.575 7.469 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.412 -11.212 9.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.599 -7.460 8.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.749 -8.877 9.447 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -11.325 -7.027 9.057 1.00 0.00 H new ATOM 1691 N THR A 108 -13.862 -15.955 8.850 1.00 0.00 N ATOM 1692 CA THR A 108 -14.967 -16.907 8.795 1.00 0.00 C ATOM 1693 C THR A 108 -15.374 -17.349 10.197 1.00 0.00 C ATOM 1694 O THR A 108 -16.544 -17.636 10.453 1.00 0.00 O ATOM 1695 CB THR A 108 -14.576 -18.124 7.957 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.939 -17.723 6.757 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.755 -18.995 7.582 1.00 0.00 C ATOM 0 H THR A 108 -13.024 -16.251 8.349 1.00 0.00 H new ATOM 0 HA THR A 108 -15.819 -16.412 8.329 1.00 0.00 H new ATOM 0 HB THR A 108 -13.902 -18.704 8.587 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.971 -17.847 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.408 -19.841 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.239 -19.361 8.487 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.468 -18.411 7.000 1.00 0.00 H new