USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=8 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.49) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -150:sc= -0.541 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.35) USER MOD Single : A 80 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 84 ASN : amide:sc= -1.78! C(o=-1.8!,f=-6.4!) USER MOD Single : A 86 CYS SG : rot 170:sc= -0.953 USER MOD Single : A 93 HIS : no HD1:sc= -0.302 X(o=-0.3,f=0.009) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -2.64 X(o=-2.6,f=-2.7!) 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= -0.0538 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 108 THR OG1 : rot 99:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.971 7.594 -3.726 1.00 0.00 N ATOM 428 CA SER A 31 -11.250 7.112 -3.219 1.00 0.00 C ATOM 429 C SER A 31 -11.074 5.804 -2.454 1.00 0.00 C ATOM 430 O SER A 31 -10.067 5.112 -2.611 1.00 0.00 O ATOM 431 CB SER A 31 -12.237 6.914 -4.371 1.00 0.00 C ATOM 432 OG SER A 31 -13.550 7.285 -3.988 1.00 0.00 O ATOM 0 HA SER A 31 -11.647 7.862 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.923 7.509 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.228 5.871 -4.686 1.00 0.00 H new ATOM 0 HG SER A 31 -14.161 7.151 -4.742 1.00 0.00 H new ATOM 438 N ALA A 32 -12.059 5.470 -1.628 1.00 0.00 N ATOM 439 CA ALA A 32 -12.014 4.246 -0.839 1.00 0.00 C ATOM 440 C ALA A 32 -11.913 3.017 -1.736 1.00 0.00 C ATOM 441 O ALA A 32 -11.067 2.149 -1.525 1.00 0.00 O ATOM 442 CB ALA A 32 -13.241 4.149 0.055 1.00 0.00 C ATOM 0 H ALA A 32 -12.899 6.031 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.123 4.280 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.194 3.230 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.269 5.006 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.140 4.142 -0.561 1.00 0.00 H new ATOM 448 N ASP A 33 -12.781 2.952 -2.740 1.00 0.00 N ATOM 449 CA ASP A 33 -12.790 1.829 -3.671 1.00 0.00 C ATOM 450 C ASP A 33 -11.457 1.721 -4.405 1.00 0.00 C ATOM 451 O ASP A 33 -11.020 0.627 -4.762 1.00 0.00 O ATOM 452 CB ASP A 33 -13.929 1.984 -4.680 1.00 0.00 C ATOM 453 CG ASP A 33 -14.568 0.657 -5.039 1.00 0.00 C ATOM 454 OD1 ASP A 33 -13.995 -0.069 -5.880 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.640 0.343 -4.481 1.00 0.00 O ATOM 0 H ASP A 33 -13.487 3.663 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.944 0.915 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.687 2.650 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.547 2.457 -5.585 1.00 0.00 H new ATOM 460 N TYR A 34 -10.816 2.863 -4.629 1.00 0.00 N ATOM 461 CA TYR A 34 -9.534 2.897 -5.321 1.00 0.00 C ATOM 462 C TYR A 34 -8.484 2.091 -4.562 1.00 0.00 C ATOM 463 O TYR A 34 -7.831 1.215 -5.129 1.00 0.00 O ATOM 464 CB TYR A 34 -9.059 4.342 -5.490 1.00 0.00 C ATOM 465 CG TYR A 34 -7.775 4.470 -6.278 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.627 3.841 -7.508 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.711 5.221 -5.793 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.454 3.956 -8.231 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.537 5.341 -6.510 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.412 4.707 -7.729 1.00 0.00 C ATOM 471 OH TYR A 34 -4.244 4.824 -8.446 1.00 0.00 O ATOM 0 H TYR A 34 -11.164 3.778 -4.341 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.670 2.449 -6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.840 4.916 -5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.916 4.786 -4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.441 3.253 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.804 5.719 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.354 3.460 -9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.720 5.929 -6.118 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.612 5.388 -7.953 1.00 0.00 H new ATOM 481 N LEU A 35 -8.328 2.394 -3.279 1.00 0.00 N ATOM 482 CA LEU A 35 -7.357 1.698 -2.442 1.00 0.00 C ATOM 483 C LEU A 35 -7.786 0.254 -2.196 1.00 0.00 C ATOM 484 O LEU A 35 -6.949 -0.633 -2.035 1.00 0.00 O ATOM 485 CB LEU A 35 -7.187 2.426 -1.107 1.00 0.00 C ATOM 486 CG LEU A 35 -6.960 3.934 -1.216 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.890 4.565 0.165 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.690 4.224 -2.002 1.00 0.00 C ATOM 0 H LEU A 35 -8.861 3.117 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.402 1.690 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.075 2.251 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.344 1.985 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.803 4.372 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.728 5.638 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.826 4.386 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.066 4.124 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.543 5.302 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.837 3.773 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.779 3.805 -3.004 1.00 0.00 H new ATOM 500 N ARG A 36 -9.095 0.028 -2.168 1.00 0.00 N ATOM 501 CA ARG A 36 -9.635 -1.308 -1.941 1.00 0.00 C ATOM 502 C ARG A 36 -9.363 -2.216 -3.136 1.00 0.00 C ATOM 503 O ARG A 36 -8.735 -3.265 -3.000 1.00 0.00 O ATOM 504 CB ARG A 36 -11.140 -1.234 -1.675 1.00 0.00 C ATOM 505 CG ARG A 36 -11.774 -2.585 -1.387 1.00 0.00 C ATOM 506 CD ARG A 36 -13.225 -2.628 -1.840 1.00 0.00 C ATOM 507 NE ARG A 36 -14.154 -2.472 -0.723 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.450 -2.206 -0.868 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.974 -2.067 -2.079 1.00 0.00 N ATOM 510 NH2 ARG A 36 -16.224 -2.080 0.201 1.00 0.00 N ATOM 0 H ARG A 36 -9.801 0.752 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.138 -1.729 -1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.319 -0.570 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.632 -0.788 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.210 -3.368 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.719 -2.793 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.400 -1.838 -2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.419 -3.575 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.788 -2.573 0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.383 -2.164 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.968 -1.863 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.826 -2.187 1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.217 -1.876 0.090 1.00 0.00 H new ATOM 524 N GLU A 37 -9.842 -1.805 -4.306 1.00 0.00 N ATOM 525 CA GLU A 37 -9.652 -2.583 -5.525 1.00 0.00 C ATOM 526 C GLU A 37 -8.168 -2.775 -5.824 1.00 0.00 C ATOM 527 O GLU A 37 -7.754 -3.830 -6.305 1.00 0.00 O ATOM 528 CB GLU A 37 -10.336 -1.892 -6.706 1.00 0.00 C ATOM 529 CG GLU A 37 -11.841 -1.764 -6.547 1.00 0.00 C ATOM 530 CD GLU A 37 -12.550 -3.102 -6.606 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.928 -3.525 -7.718 1.00 0.00 O ATOM 532 OE2 GLU A 37 -12.726 -3.727 -5.539 1.00 0.00 O ATOM 0 H GLU A 37 -10.364 -0.938 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.103 -3.564 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.907 -0.898 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.121 -2.451 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.062 -1.282 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.231 -1.115 -7.331 1.00 0.00 H new ATOM 539 N LYS A 38 -7.374 -1.750 -5.537 1.00 0.00 N ATOM 540 CA LYS A 38 -5.936 -1.807 -5.776 1.00 0.00 C ATOM 541 C LYS A 38 -5.295 -2.938 -4.978 1.00 0.00 C ATOM 542 O LYS A 38 -4.696 -3.851 -5.547 1.00 0.00 O ATOM 543 CB LYS A 38 -5.282 -0.473 -5.407 1.00 0.00 C ATOM 544 CG LYS A 38 -3.866 -0.325 -5.936 1.00 0.00 C ATOM 545 CD LYS A 38 -3.527 1.131 -6.217 1.00 0.00 C ATOM 546 CE LYS A 38 -2.031 1.327 -6.413 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.738 2.318 -7.485 1.00 0.00 N ATOM 0 H LYS A 38 -7.701 -0.870 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.778 -2.000 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.893 0.342 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.268 -0.372 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.161 -0.731 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.755 -0.909 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.059 1.464 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.871 1.752 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.583 1.661 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.569 0.372 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.709 2.424 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.144 1.987 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.157 3.236 -7.233 1.00 0.00 H new ATOM 561 N LEU A 39 -5.425 -2.871 -3.657 1.00 0.00 N ATOM 562 CA LEU A 39 -4.857 -3.890 -2.780 1.00 0.00 C ATOM 563 C LEU A 39 -5.557 -5.231 -2.981 1.00 0.00 C ATOM 564 O LEU A 39 -4.945 -6.289 -2.834 1.00 0.00 O ATOM 565 CB LEU A 39 -4.972 -3.456 -1.318 1.00 0.00 C ATOM 566 CG LEU A 39 -4.459 -2.047 -1.019 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.140 -1.483 0.218 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.949 -2.057 -0.841 1.00 0.00 C ATOM 0 H LEU A 39 -5.918 -2.123 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.804 -4.008 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.018 -3.517 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.422 -4.165 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.701 -1.405 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.763 -0.480 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.217 -1.440 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.930 -2.125 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.601 -1.046 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.685 -2.713 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.477 -2.419 -1.755 1.00 0.00 H new ATOM 580 N ARG A 40 -6.841 -5.177 -3.318 1.00 0.00 N ATOM 581 CA ARG A 40 -7.625 -6.388 -3.539 1.00 0.00 C ATOM 582 C ARG A 40 -7.189 -7.096 -4.808 1.00 0.00 C ATOM 583 O ARG A 40 -7.038 -8.317 -4.828 1.00 0.00 O ATOM 584 CB ARG A 40 -9.115 -6.052 -3.611 1.00 0.00 C ATOM 585 CG ARG A 40 -10.017 -7.274 -3.559 1.00 0.00 C ATOM 586 CD ARG A 40 -11.405 -6.966 -4.097 1.00 0.00 C ATOM 587 NE ARG A 40 -12.292 -8.123 -4.020 1.00 0.00 N ATOM 588 CZ ARG A 40 -13.601 -8.072 -4.258 1.00 0.00 C ATOM 589 NH1 ARG A 40 -14.178 -6.922 -4.587 1.00 0.00 N ATOM 590 NH2 ARG A 40 -14.335 -9.172 -4.166 1.00 0.00 N ATOM 0 H ARG A 40 -7.361 -4.309 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.453 -7.058 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.369 -5.387 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.311 -5.505 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.571 -8.081 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.094 -7.627 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.837 -6.140 -3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.327 -6.638 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.885 -9.024 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.618 -6.072 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.181 -6.888 -4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.897 -10.058 -3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.338 -9.133 -4.348 1.00 0.00 H new ATOM 604 N GLN A 41 -6.990 -6.329 -5.866 1.00 0.00 N ATOM 605 CA GLN A 41 -6.576 -6.899 -7.134 1.00 0.00 C ATOM 606 C GLN A 41 -5.100 -7.285 -7.104 1.00 0.00 C ATOM 607 O GLN A 41 -4.715 -8.343 -7.604 1.00 0.00 O ATOM 608 CB GLN A 41 -6.842 -5.919 -8.277 1.00 0.00 C ATOM 609 CG GLN A 41 -8.316 -5.608 -8.480 1.00 0.00 C ATOM 610 CD GLN A 41 -9.019 -6.648 -9.331 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.841 -6.695 -10.548 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.824 -7.488 -8.691 1.00 0.00 N ATOM 0 H GLN A 41 -7.108 -5.316 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.163 -7.802 -7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.307 -4.990 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.436 -6.332 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.808 -5.546 -7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.416 -4.630 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.941 -7.412 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.325 -8.209 -9.210 1.00 0.00 H new ATOM 621 N ASP A 42 -4.279 -6.424 -6.514 1.00 0.00 N ATOM 622 CA ASP A 42 -2.846 -6.676 -6.420 1.00 0.00 C ATOM 623 C ASP A 42 -2.570 -7.968 -5.657 1.00 0.00 C ATOM 624 O ASP A 42 -1.840 -8.838 -6.132 1.00 0.00 O ATOM 625 CB ASP A 42 -2.143 -5.504 -5.731 1.00 0.00 C ATOM 626 CG ASP A 42 -0.677 -5.411 -6.101 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.373 -4.898 -7.199 1.00 0.00 O ATOM 628 OD2 ASP A 42 0.170 -5.849 -5.294 1.00 0.00 O ATOM 0 H ASP A 42 -4.581 -5.545 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.455 -6.781 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.643 -4.574 -6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.236 -5.613 -4.650 1.00 0.00 H new ATOM 633 N LEU A 43 -3.160 -8.087 -4.472 1.00 0.00 N ATOM 634 CA LEU A 43 -2.980 -9.272 -3.642 1.00 0.00 C ATOM 635 C LEU A 43 -3.970 -10.369 -4.027 1.00 0.00 C ATOM 636 O LEU A 43 -3.757 -11.543 -3.723 1.00 0.00 O ATOM 637 CB LEU A 43 -3.148 -8.914 -2.164 1.00 0.00 C ATOM 638 CG LEU A 43 -2.015 -8.077 -1.568 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.534 -7.207 -0.434 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.889 -8.976 -1.081 1.00 0.00 C ATOM 0 H LEU A 43 -3.768 -7.376 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.970 -9.648 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.084 -8.370 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.238 -9.836 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.621 -7.425 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.714 -6.619 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.306 -6.538 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.954 -7.840 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.091 -8.364 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.269 -9.653 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.499 -9.556 -1.917 1.00 0.00 H new ATOM 652 N GLU A 44 -5.053 -9.982 -4.697 1.00 0.00 N ATOM 653 CA GLU A 44 -6.072 -10.936 -5.120 1.00 0.00 C ATOM 654 C GLU A 44 -6.713 -11.615 -3.913 1.00 0.00 C ATOM 655 O GLU A 44 -6.952 -12.823 -3.920 1.00 0.00 O ATOM 656 CB GLU A 44 -5.464 -11.987 -6.052 1.00 0.00 C ATOM 657 CG GLU A 44 -5.468 -11.578 -7.516 1.00 0.00 C ATOM 658 CD GLU A 44 -5.785 -12.733 -8.443 1.00 0.00 C ATOM 659 OE1 GLU A 44 -5.371 -13.871 -8.138 1.00 0.00 O ATOM 660 OE2 GLU A 44 -6.448 -12.501 -9.476 1.00 0.00 O ATOM 0 H GLU A 44 -5.246 -9.015 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.845 -10.390 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.438 -12.186 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.016 -12.920 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.201 -10.785 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.494 -11.165 -7.777 1.00 0.00 H new ATOM 667 N ALA A 45 -6.989 -10.829 -2.878 1.00 0.00 N ATOM 668 CA ALA A 45 -7.603 -11.351 -1.663 1.00 0.00 C ATOM 669 C ALA A 45 -8.979 -11.942 -1.954 1.00 0.00 C ATOM 670 O ALA A 45 -9.423 -11.973 -3.101 1.00 0.00 O ATOM 671 CB ALA A 45 -7.706 -10.256 -0.613 1.00 0.00 C ATOM 0 H ALA A 45 -6.797 -9.827 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.969 -12.149 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.166 -10.659 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.709 -9.884 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.317 -9.439 -0.998 1.00 0.00 H new ATOM 677 N GLU A 46 -9.650 -12.408 -0.905 1.00 0.00 N ATOM 678 CA GLU A 46 -10.975 -12.998 -1.046 1.00 0.00 C ATOM 679 C GLU A 46 -12.062 -11.968 -0.752 1.00 0.00 C ATOM 680 O GLU A 46 -12.953 -11.740 -1.571 1.00 0.00 O ATOM 681 CB GLU A 46 -11.126 -14.196 -0.107 1.00 0.00 C ATOM 682 CG GLU A 46 -10.397 -15.440 -0.590 1.00 0.00 C ATOM 683 CD GLU A 46 -11.195 -16.709 -0.357 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.686 -16.902 0.775 1.00 0.00 O ATOM 685 OE2 GLU A 46 -11.328 -17.509 -1.307 1.00 0.00 O ATOM 0 H GLU A 46 -9.297 -12.388 0.052 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.087 -13.336 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.750 -13.924 0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.185 -14.427 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.181 -15.341 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.439 -15.518 -0.076 1.00 0.00 H new ATOM 692 N HIS A 47 -11.983 -11.349 0.420 1.00 0.00 N ATOM 693 CA HIS A 47 -12.959 -10.344 0.822 1.00 0.00 C ATOM 694 C HIS A 47 -12.268 -9.126 1.430 1.00 0.00 C ATOM 695 O HIS A 47 -11.432 -9.257 2.324 1.00 0.00 O ATOM 696 CB HIS A 47 -13.949 -10.937 1.826 1.00 0.00 C ATOM 697 CG HIS A 47 -15.359 -10.481 1.618 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.693 -9.398 0.831 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.530 -10.968 2.096 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.004 -9.238 0.836 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.534 -10.178 1.596 1.00 0.00 N ATOM 0 H HIS A 47 -11.252 -11.526 1.109 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.502 -10.025 -0.068 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.914 -12.024 1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.635 -10.670 2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.650 -11.820 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.549 -8.469 0.308 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.530 -10.298 1.782 1.00 0.00 H new ATOM 710 N VAL A 48 -12.623 -7.944 0.938 1.00 0.00 N ATOM 711 CA VAL A 48 -12.037 -6.704 1.432 1.00 0.00 C ATOM 712 C VAL A 48 -13.118 -5.702 1.822 1.00 0.00 C ATOM 713 O VAL A 48 -14.264 -5.809 1.386 1.00 0.00 O ATOM 714 CB VAL A 48 -11.112 -6.061 0.381 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.898 -6.942 0.126 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.873 -5.801 -0.910 1.00 0.00 C ATOM 0 H VAL A 48 -13.313 -7.819 0.198 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.449 -6.962 2.313 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.761 -5.104 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.257 -6.471 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.341 -7.072 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.225 -7.915 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.204 -5.347 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.255 -6.743 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.706 -5.127 -0.712 1.00 0.00 H new ATOM 726 N GLU A 49 -12.744 -4.728 2.645 1.00 0.00 N ATOM 727 CA GLU A 49 -13.682 -3.705 3.094 1.00 0.00 C ATOM 728 C GLU A 49 -12.969 -2.374 3.314 1.00 0.00 C ATOM 729 O GLU A 49 -11.969 -2.304 4.028 1.00 0.00 O ATOM 730 CB GLU A 49 -14.373 -4.147 4.385 1.00 0.00 C ATOM 731 CG GLU A 49 -15.805 -3.656 4.507 1.00 0.00 C ATOM 732 CD GLU A 49 -16.324 -3.721 5.930 1.00 0.00 C ATOM 733 OE1 GLU A 49 -15.738 -3.051 6.807 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.317 -4.441 6.168 1.00 0.00 O ATOM 0 H GLU A 49 -11.799 -4.625 3.014 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.434 -3.570 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.365 -5.236 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.799 -3.783 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.865 -2.628 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.447 -4.256 3.862 1.00 0.00 H new ATOM 741 N VAL A 50 -13.492 -1.320 2.696 1.00 0.00 N ATOM 742 CA VAL A 50 -12.905 0.009 2.825 1.00 0.00 C ATOM 743 C VAL A 50 -13.922 1.010 3.364 1.00 0.00 C ATOM 744 O VAL A 50 -15.108 0.940 3.041 1.00 0.00 O ATOM 745 CB VAL A 50 -12.363 0.515 1.473 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.485 0.629 0.452 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.652 1.850 1.646 1.00 0.00 C ATOM 0 H VAL A 50 -14.320 -1.360 2.102 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.078 -0.075 3.530 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.639 -0.211 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.081 0.988 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.943 -0.349 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.237 1.330 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.277 2.190 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.351 2.586 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.818 1.731 2.338 1.00 0.00 H new ATOM 757 N GLU A 51 -13.451 1.939 4.188 1.00 0.00 N ATOM 758 CA GLU A 51 -14.318 2.955 4.773 1.00 0.00 C ATOM 759 C GLU A 51 -13.632 4.315 4.785 1.00 0.00 C ATOM 760 O GLU A 51 -12.457 4.434 4.436 1.00 0.00 O ATOM 761 CB GLU A 51 -14.717 2.559 6.196 1.00 0.00 C ATOM 762 CG GLU A 51 -13.541 2.137 7.062 1.00 0.00 C ATOM 763 CD GLU A 51 -13.966 1.309 8.258 1.00 0.00 C ATOM 764 OE1 GLU A 51 -14.629 0.270 8.056 1.00 0.00 O ATOM 765 OE2 GLU A 51 -13.636 1.698 9.397 1.00 0.00 O ATOM 0 H GLU A 51 -12.472 2.010 4.466 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.216 3.027 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.223 3.400 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.435 1.740 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.838 1.563 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.013 3.025 7.409 1.00 0.00 H new ATOM 772 N ASP A 52 -14.375 5.341 5.184 1.00 0.00 N ATOM 773 CA ASP A 52 -13.843 6.695 5.237 1.00 0.00 C ATOM 774 C ASP A 52 -14.525 7.503 6.337 1.00 0.00 C ATOM 775 O ASP A 52 -15.714 7.326 6.606 1.00 0.00 O ATOM 776 CB ASP A 52 -14.029 7.383 3.882 1.00 0.00 C ATOM 777 CG ASP A 52 -13.584 8.833 3.894 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.543 9.129 4.519 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.275 9.672 3.280 1.00 0.00 O ATOM 0 H ASP A 52 -15.349 5.259 5.476 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.779 6.639 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.465 6.841 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.079 7.332 3.595 1.00 0.00 H new ATOM 904 N SER A 61 -8.863 10.572 6.510 1.00 0.00 N ATOM 905 CA SER A 61 -8.417 9.238 6.894 1.00 0.00 C ATOM 906 C SER A 61 -9.095 8.170 6.041 1.00 0.00 C ATOM 907 O SER A 61 -10.147 8.411 5.448 1.00 0.00 O ATOM 908 CB SER A 61 -8.710 8.985 8.375 1.00 0.00 C ATOM 909 OG SER A 61 -10.090 8.744 8.588 1.00 0.00 O ATOM 0 HA SER A 61 -7.341 9.181 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.130 8.130 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.393 9.846 8.964 1.00 0.00 H new ATOM 0 HG SER A 61 -10.251 8.584 9.541 1.00 0.00 H new ATOM 915 N PHE A 62 -8.487 6.990 5.984 1.00 0.00 N ATOM 916 CA PHE A 62 -9.032 5.885 5.204 1.00 0.00 C ATOM 917 C PHE A 62 -8.659 4.543 5.825 1.00 0.00 C ATOM 918 O PHE A 62 -7.607 4.408 6.450 1.00 0.00 O ATOM 919 CB PHE A 62 -8.524 5.952 3.763 1.00 0.00 C ATOM 920 CG PHE A 62 -9.228 6.980 2.923 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.540 6.786 2.523 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.577 8.140 2.535 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.190 7.729 1.750 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.222 9.087 1.763 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.530 8.882 1.370 1.00 0.00 C ATOM 0 H PHE A 62 -7.616 6.774 6.469 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.118 5.975 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.457 6.173 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.643 4.973 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.061 5.887 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.554 8.306 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.212 7.565 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.704 9.987 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.036 9.621 0.767 1.00 0.00 H new ATOM 935 N ARG A 63 -9.527 3.553 5.647 1.00 0.00 N ATOM 936 CA ARG A 63 -9.289 2.221 6.189 1.00 0.00 C ATOM 937 C ARG A 63 -9.503 1.154 5.119 1.00 0.00 C ATOM 938 O ARG A 63 -10.436 1.241 4.321 1.00 0.00 O ATOM 939 CB ARG A 63 -10.212 1.959 7.381 1.00 0.00 C ATOM 940 CG ARG A 63 -9.567 2.254 8.726 1.00 0.00 C ATOM 941 CD ARG A 63 -10.576 2.809 9.719 1.00 0.00 C ATOM 942 NE ARG A 63 -10.403 2.239 11.052 1.00 0.00 N ATOM 943 CZ ARG A 63 -10.894 2.786 12.162 1.00 0.00 C ATOM 944 NH1 ARG A 63 -11.587 3.916 12.103 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.690 2.201 13.335 1.00 0.00 N ATOM 0 H ARG A 63 -10.402 3.648 5.131 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.253 2.171 6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.109 2.569 7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.531 0.917 7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.125 1.342 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.755 2.969 8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.474 3.893 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.586 2.601 9.364 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.875 1.371 11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.746 4.370 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.961 4.330 12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.157 1.333 13.386 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.066 2.620 14.186 1.00 0.00 H new ATOM 959 N VAL A 64 -8.632 0.150 5.108 1.00 0.00 N ATOM 960 CA VAL A 64 -8.727 -0.930 4.135 1.00 0.00 C ATOM 961 C VAL A 64 -8.650 -2.293 4.815 1.00 0.00 C ATOM 962 O VAL A 64 -7.780 -2.532 5.653 1.00 0.00 O ATOM 963 CB VAL A 64 -7.611 -0.834 3.077 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.868 0.330 2.133 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.252 -0.699 3.746 1.00 0.00 C ATOM 0 H VAL A 64 -7.854 0.063 5.761 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.694 -0.826 3.643 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.611 -1.753 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.069 0.382 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.822 0.184 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.897 1.260 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.476 -0.633 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.236 0.202 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.068 -1.570 4.376 1.00 0.00 H new ATOM 975 N LEU A 65 -9.564 -3.185 4.447 1.00 0.00 N ATOM 976 CA LEU A 65 -9.600 -4.526 5.019 1.00 0.00 C ATOM 977 C LEU A 65 -9.307 -5.578 3.954 1.00 0.00 C ATOM 978 O LEU A 65 -9.806 -5.494 2.832 1.00 0.00 O ATOM 979 CB LEU A 65 -10.965 -4.794 5.657 1.00 0.00 C ATOM 980 CG LEU A 65 -10.955 -5.803 6.807 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.500 -7.167 6.315 1.00 0.00 C ATOM 982 CD2 LEU A 65 -10.059 -5.313 7.936 1.00 0.00 C ATOM 0 H LEU A 65 -10.290 -3.003 3.754 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.830 -4.588 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.369 -3.851 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.646 -5.153 4.885 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.970 -5.900 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.499 -7.872 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.181 -7.520 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.493 -7.089 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.063 -6.042 8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.042 -5.188 7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.430 -4.357 8.306 1.00 0.00 H new ATOM 994 N VAL A 66 -8.494 -6.566 4.313 1.00 0.00 N ATOM 995 CA VAL A 66 -8.136 -7.633 3.386 1.00 0.00 C ATOM 996 C VAL A 66 -8.034 -8.975 4.104 1.00 0.00 C ATOM 997 O VAL A 66 -7.465 -9.068 5.192 1.00 0.00 O ATOM 998 CB VAL A 66 -6.799 -7.339 2.682 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.537 -8.356 1.582 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.791 -5.924 2.122 1.00 0.00 C ATOM 0 H VAL A 66 -8.071 -6.650 5.238 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.929 -7.682 2.640 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.998 -7.420 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.587 -8.131 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.496 -9.356 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.340 -8.311 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.838 -5.734 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.602 -5.813 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.927 -5.210 2.935 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.588 -10.013 3.486 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.561 -11.352 4.063 1.00 0.00 C ATOM 1012 C VAL A 67 -8.375 -12.411 2.981 1.00 0.00 C ATOM 1013 O VAL A 67 -9.195 -12.531 2.070 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.853 -11.653 4.846 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.735 -12.976 5.586 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.170 -10.520 5.809 1.00 0.00 C ATOM 0 H VAL A 67 -9.062 -9.952 2.585 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.715 -11.385 4.750 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.675 -11.735 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.658 -13.171 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.561 -13.779 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.901 -12.928 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.086 -10.750 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.348 -10.402 6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.303 -9.594 5.250 1.00 0.00 H new ATOM 1026 N SER A 68 -7.294 -13.178 3.089 1.00 0.00 N ATOM 1027 CA SER A 68 -7.004 -14.228 2.118 1.00 0.00 C ATOM 1028 C SER A 68 -5.738 -14.988 2.501 1.00 0.00 C ATOM 1029 O SER A 68 -5.122 -14.713 3.531 1.00 0.00 O ATOM 1030 CB SER A 68 -6.850 -13.630 0.719 1.00 0.00 C ATOM 1031 OG SER A 68 -7.354 -14.511 -0.271 1.00 0.00 O ATOM 0 H SER A 68 -6.606 -13.093 3.837 1.00 0.00 H new ATOM 0 HA SER A 68 -7.840 -14.927 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.379 -12.678 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.798 -13.421 0.523 1.00 0.00 H new ATOM 0 HG SER A 68 -6.859 -14.382 -1.107 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.356 -15.946 1.663 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.163 -16.748 1.910 1.00 0.00 C ATOM 1039 C ALA A 69 -2.924 -16.113 1.281 1.00 0.00 C ATOM 1040 O ALA A 69 -1.796 -16.477 1.612 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.360 -18.161 1.379 1.00 0.00 C ATOM 0 H ALA A 69 -5.855 -16.186 0.807 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.005 -16.791 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.463 -18.750 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.210 -18.623 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.548 -18.124 0.306 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.138 -15.165 0.372 1.00 0.00 N ATOM 1048 CA LYS A 70 -2.035 -14.484 -0.301 1.00 0.00 C ATOM 1049 C LYS A 70 -1.040 -13.920 0.710 1.00 0.00 C ATOM 1050 O LYS A 70 0.168 -13.915 0.470 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.572 -13.358 -1.188 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.487 -12.592 -1.927 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.820 -13.452 -2.987 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.754 -13.725 -4.155 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.634 -15.125 -4.647 1.00 0.00 N ATOM 0 H LYS A 70 -4.065 -14.851 0.085 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.516 -15.214 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.266 -13.780 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.140 -12.662 -0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.919 -11.707 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.738 -12.243 -1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.079 -12.953 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.504 -14.397 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.783 -13.535 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.530 -13.034 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.287 -15.270 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.659 -15.300 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.872 -15.784 -3.879 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.555 -13.448 1.841 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.711 -12.884 2.887 1.00 0.00 C ATOM 1071 C PHE A 71 0.022 -13.983 3.650 1.00 0.00 C ATOM 1072 O PHE A 71 1.129 -13.775 4.147 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.552 -12.050 3.855 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.849 -10.666 3.354 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.832 -9.857 2.872 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.144 -10.174 3.365 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.102 -8.583 2.409 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.420 -8.900 2.904 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.397 -8.104 2.425 1.00 0.00 C ATOM 0 H PHE A 71 -2.552 -13.445 2.056 1.00 0.00 H new ATOM 0 HA PHE A 71 0.030 -12.241 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.492 -12.568 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.029 -11.978 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.183 -10.226 2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.947 -10.793 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.301 -7.963 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.434 -8.528 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.610 -7.109 2.064 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.602 -15.153 3.740 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.007 -16.284 4.443 1.00 0.00 C ATOM 1091 C GLU A 72 1.325 -16.678 3.813 1.00 0.00 C ATOM 1092 O GLU A 72 2.230 -17.156 4.498 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.967 -17.477 4.432 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.636 -17.731 5.773 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.770 -18.551 6.709 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.875 -19.795 6.678 1.00 0.00 O ATOM 1097 OE2 GLU A 72 0.011 -17.949 7.475 1.00 0.00 O ATOM 0 H GLU A 72 -1.519 -15.343 3.335 1.00 0.00 H new ATOM 0 HA GLU A 72 0.178 -15.984 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.736 -17.307 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.419 -18.371 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.872 -16.777 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.581 -18.249 5.611 1.00 0.00 H new ATOM 1104 N GLY A 73 1.439 -16.477 2.504 1.00 0.00 N ATOM 1105 CA GLY A 73 2.664 -16.817 1.806 1.00 0.00 C ATOM 1106 C GLY A 73 3.839 -15.966 2.244 1.00 0.00 C ATOM 1107 O GLY A 73 4.985 -16.413 2.212 1.00 0.00 O ATOM 0 H GLY A 73 0.705 -16.085 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.897 -17.868 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.512 -16.696 0.733 1.00 0.00 H new ATOM 1111 N LYS A 74 3.554 -14.734 2.652 1.00 0.00 N ATOM 1112 CA LYS A 74 4.597 -13.816 3.098 1.00 0.00 C ATOM 1113 C LYS A 74 4.474 -13.539 4.595 1.00 0.00 C ATOM 1114 O LYS A 74 3.392 -13.653 5.169 1.00 0.00 O ATOM 1115 CB LYS A 74 4.516 -12.503 2.317 1.00 0.00 C ATOM 1116 CG LYS A 74 4.320 -12.696 0.821 1.00 0.00 C ATOM 1117 CD LYS A 74 4.042 -11.376 0.121 1.00 0.00 C ATOM 1118 CE LYS A 74 4.504 -11.406 -1.327 1.00 0.00 C ATOM 1119 NZ LYS A 74 5.842 -10.778 -1.497 1.00 0.00 N ATOM 0 H LYS A 74 2.610 -14.348 2.683 1.00 0.00 H new ATOM 0 HA LYS A 74 5.564 -14.284 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.692 -11.907 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.430 -11.933 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.211 -13.156 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.492 -13.383 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.974 -11.160 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.549 -10.569 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.541 -12.438 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.777 -10.886 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.120 -10.819 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.801 -9.785 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.541 -11.290 -0.922 1.00 0.00 H new ATOM 1133 N PRO A 75 5.589 -13.171 5.251 1.00 0.00 N ATOM 1134 CA PRO A 75 5.599 -12.878 6.688 1.00 0.00 C ATOM 1135 C PRO A 75 4.790 -11.632 7.030 1.00 0.00 C ATOM 1136 O PRO A 75 4.323 -10.919 6.140 1.00 0.00 O ATOM 1137 CB PRO A 75 7.082 -12.658 7.003 1.00 0.00 C ATOM 1138 CG PRO A 75 7.696 -12.273 5.701 1.00 0.00 C ATOM 1139 CD PRO A 75 6.924 -13.010 4.644 1.00 0.00 C ATOM 0 HA PRO A 75 5.145 -13.681 7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.216 -11.875 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.539 -13.563 7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.638 -11.196 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.752 -12.543 5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.877 -12.446 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.379 -13.973 4.411 1.00 0.00 H new ATOM 1147 N LEU A 76 4.626 -11.375 8.323 1.00 0.00 N ATOM 1148 CA LEU A 76 3.872 -10.215 8.784 1.00 0.00 C ATOM 1149 C LEU A 76 4.476 -8.921 8.247 1.00 0.00 C ATOM 1150 O LEU A 76 3.756 -8.026 7.805 1.00 0.00 O ATOM 1151 CB LEU A 76 3.836 -10.178 10.313 1.00 0.00 C ATOM 1152 CG LEU A 76 2.984 -9.059 10.914 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.543 -9.516 11.079 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.559 -8.612 12.249 1.00 0.00 C ATOM 0 H LEU A 76 5.006 -11.955 9.071 1.00 0.00 H new ATOM 0 HA LEU A 76 2.854 -10.303 8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.460 -11.135 10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.856 -10.076 10.683 1.00 0.00 H new ATOM 0 HG LEU A 76 2.998 -8.210 10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.952 -8.707 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.134 -9.788 10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.509 -10.381 11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.941 -7.815 12.663 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.574 -9.455 12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.575 -8.244 12.103 1.00 0.00 H new ATOM 1166 N LEU A 77 5.801 -8.830 8.290 1.00 0.00 N ATOM 1167 CA LEU A 77 6.502 -7.644 7.808 1.00 0.00 C ATOM 1168 C LEU A 77 6.199 -7.394 6.334 1.00 0.00 C ATOM 1169 O LEU A 77 6.149 -6.249 5.887 1.00 0.00 O ATOM 1170 CB LEU A 77 8.010 -7.800 8.011 1.00 0.00 C ATOM 1171 CG LEU A 77 8.623 -9.051 7.380 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.126 -8.749 5.977 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.751 -9.589 8.248 1.00 0.00 C ATOM 0 H LEU A 77 6.411 -9.562 8.653 1.00 0.00 H new ATOM 0 HA LEU A 77 6.151 -6.787 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.509 -6.923 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.218 -7.813 9.081 1.00 0.00 H new ATOM 0 HG LEU A 77 7.849 -9.815 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.559 -9.651 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.295 -8.411 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.885 -7.968 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.175 -10.479 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.526 -8.829 8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.362 -9.845 9.233 1.00 0.00 H new ATOM 1185 N GLN A 78 5.998 -8.473 5.585 1.00 0.00 N ATOM 1186 CA GLN A 78 5.700 -8.371 4.161 1.00 0.00 C ATOM 1187 C GLN A 78 4.263 -7.912 3.936 1.00 0.00 C ATOM 1188 O GLN A 78 3.980 -7.152 3.011 1.00 0.00 O ATOM 1189 CB GLN A 78 5.934 -9.717 3.472 1.00 0.00 C ATOM 1190 CG GLN A 78 6.707 -9.608 2.168 1.00 0.00 C ATOM 1191 CD GLN A 78 8.047 -8.919 2.341 1.00 0.00 C ATOM 1192 OE1 GLN A 78 9.007 -9.517 2.827 1.00 0.00 O ATOM 1193 NE2 GLN A 78 8.118 -7.655 1.942 1.00 0.00 N ATOM 0 H GLN A 78 6.036 -9.428 5.940 1.00 0.00 H new ATOM 0 HA GLN A 78 6.370 -7.628 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.476 -10.374 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 78 4.970 -10.187 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.866 -10.606 1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.110 -9.057 1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.297 -7.199 1.545 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.994 -7.140 2.033 1.00 0.00 H new ATOM 1202 N ARG A 79 3.356 -8.381 4.788 1.00 0.00 N ATOM 1203 CA ARG A 79 1.948 -8.021 4.683 1.00 0.00 C ATOM 1204 C ARG A 79 1.760 -6.511 4.802 1.00 0.00 C ATOM 1205 O ARG A 79 0.995 -5.910 4.049 1.00 0.00 O ATOM 1206 CB ARG A 79 1.135 -8.734 5.765 1.00 0.00 C ATOM 1207 CG ARG A 79 1.175 -10.249 5.656 1.00 0.00 C ATOM 1208 CD ARG A 79 0.613 -10.912 6.904 1.00 0.00 C ATOM 1209 NE ARG A 79 1.021 -12.310 7.012 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.410 -13.203 7.787 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.636 -12.848 8.523 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.846 -14.456 7.827 1.00 0.00 N ATOM 0 H ARG A 79 3.573 -9.012 5.559 1.00 0.00 H new ATOM 0 HA ARG A 79 1.592 -8.337 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.511 -8.438 6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.099 -8.401 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.603 -10.567 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.203 -10.577 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.949 -10.367 7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.475 -10.852 6.887 1.00 0.00 H new ATOM 0 HE ARG A 79 1.821 -12.620 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.976 -11.887 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.100 -13.537 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.649 -14.735 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.378 -15.140 8.421 1.00 0.00 H new ATOM 1226 N HIS A 80 2.463 -5.906 5.753 1.00 0.00 N ATOM 1227 CA HIS A 80 2.374 -4.466 5.971 1.00 0.00 C ATOM 1228 C HIS A 80 3.126 -3.703 4.886 1.00 0.00 C ATOM 1229 O HIS A 80 2.596 -2.763 4.292 1.00 0.00 O ATOM 1230 CB HIS A 80 2.933 -4.103 7.348 1.00 0.00 C ATOM 1231 CG HIS A 80 2.114 -4.631 8.485 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.528 -4.578 9.799 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.898 -5.228 8.499 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.603 -5.118 10.572 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.604 -5.520 9.809 1.00 0.00 N ATOM 0 H HIS A 80 3.101 -6.390 6.385 1.00 0.00 H new ATOM 0 HA HIS A 80 1.323 -4.181 5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.949 -4.490 7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.997 -3.018 7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.276 -5.436 7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.655 -5.214 11.646 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.248 -5.974 10.138 1.00 0.00 H new ATOM 1244 N ARG A 81 4.365 -4.112 4.632 1.00 0.00 N ATOM 1245 CA ARG A 81 5.191 -3.465 3.618 1.00 0.00 C ATOM 1246 C ARG A 81 4.540 -3.562 2.242 1.00 0.00 C ATOM 1247 O ARG A 81 4.663 -2.652 1.422 1.00 0.00 O ATOM 1248 CB ARG A 81 6.582 -4.099 3.584 1.00 0.00 C ATOM 1249 CG ARG A 81 7.697 -3.105 3.308 1.00 0.00 C ATOM 1250 CD ARG A 81 8.938 -3.795 2.765 1.00 0.00 C ATOM 1251 NE ARG A 81 9.842 -4.216 3.832 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.481 -3.372 4.638 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.316 -2.061 4.504 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.287 -3.838 5.583 1.00 0.00 N ATOM 0 H ARG A 81 4.819 -4.888 5.114 1.00 0.00 H new ATOM 0 HA ARG A 81 5.286 -2.411 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.772 -4.589 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.600 -4.874 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.352 -2.359 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.947 -2.574 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.642 -4.664 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.463 -3.118 2.091 1.00 0.00 H new ATOM 0 HE ARG A 81 9.992 -5.216 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.697 -1.696 3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.809 -1.419 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.417 -4.844 5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.777 -3.191 6.201 1.00 0.00 H new ATOM 1268 N LEU A 82 3.849 -4.669 1.997 1.00 0.00 N ATOM 1269 CA LEU A 82 3.179 -4.885 0.719 1.00 0.00 C ATOM 1270 C LEU A 82 2.116 -3.819 0.475 1.00 0.00 C ATOM 1271 O LEU A 82 2.134 -3.133 -0.547 1.00 0.00 O ATOM 1272 CB LEU A 82 2.543 -6.277 0.681 1.00 0.00 C ATOM 1273 CG LEU A 82 3.435 -7.380 0.110 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.684 -8.703 0.065 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.932 -7.000 -1.276 1.00 0.00 C ATOM 0 H LEU A 82 3.738 -5.431 2.666 1.00 0.00 H new ATOM 0 HA LEU A 82 3.926 -4.814 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.251 -6.554 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.629 -6.226 0.089 1.00 0.00 H new ATOM 0 HG LEU A 82 4.299 -7.497 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.334 -9.477 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.378 -8.982 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.802 -8.599 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.565 -7.797 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.080 -6.854 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.507 -6.076 -1.216 1.00 0.00 H new ATOM 1287 N VAL A 83 1.189 -3.688 1.418 1.00 0.00 N ATOM 1288 CA VAL A 83 0.117 -2.706 1.305 1.00 0.00 C ATOM 1289 C VAL A 83 0.677 -1.290 1.221 1.00 0.00 C ATOM 1290 O VAL A 83 0.103 -0.422 0.564 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.854 -2.793 2.499 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.045 -1.869 2.289 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.315 -4.228 2.711 1.00 0.00 C ATOM 0 H VAL A 83 1.159 -4.250 2.269 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.426 -2.934 0.388 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.326 -2.469 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.719 -1.945 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.695 -0.841 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.575 -2.159 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.000 -4.269 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.825 -4.583 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.451 -4.862 2.912 1.00 0.00 H new ATOM 1303 N ASN A 84 1.802 -1.063 1.891 1.00 0.00 N ATOM 1304 CA ASN A 84 2.440 0.249 1.892 1.00 0.00 C ATOM 1305 C ASN A 84 3.044 0.561 0.527 1.00 0.00 C ATOM 1306 O ASN A 84 2.938 1.684 0.033 1.00 0.00 O ATOM 1307 CB ASN A 84 3.524 0.310 2.970 1.00 0.00 C ATOM 1308 CG ASN A 84 2.992 0.808 4.299 1.00 0.00 C ATOM 1309 OD1 ASN A 84 2.190 1.741 4.349 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.437 0.186 5.384 1.00 0.00 N ATOM 0 H ASN A 84 2.291 -1.770 2.440 1.00 0.00 H new ATOM 0 HA ASN A 84 1.678 0.997 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.956 -0.682 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.328 0.965 2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.114 0.477 6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.102 -0.583 5.295 1.00 0.00 H new ATOM 1317 N GLU A 85 3.677 -0.440 -0.077 1.00 0.00 N ATOM 1318 CA GLU A 85 4.298 -0.270 -1.386 1.00 0.00 C ATOM 1319 C GLU A 85 3.247 0.010 -2.455 1.00 0.00 C ATOM 1320 O GLU A 85 3.491 0.764 -3.396 1.00 0.00 O ATOM 1321 CB GLU A 85 5.100 -1.519 -1.757 1.00 0.00 C ATOM 1322 CG GLU A 85 6.393 -1.667 -0.971 1.00 0.00 C ATOM 1323 CD GLU A 85 7.539 -2.174 -1.824 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.314 -3.103 -2.629 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.661 -1.644 -1.687 1.00 0.00 O ATOM 0 H GLU A 85 3.773 -1.375 0.318 1.00 0.00 H new ATOM 0 HA GLU A 85 4.972 0.585 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.481 -2.401 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.333 -1.488 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.664 -0.703 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.232 -2.354 -0.140 1.00 0.00 H new ATOM 1332 N CYS A 86 2.078 -0.603 -2.303 1.00 0.00 N ATOM 1333 CA CYS A 86 0.989 -0.420 -3.257 1.00 0.00 C ATOM 1334 C CYS A 86 0.574 1.046 -3.332 1.00 0.00 C ATOM 1335 O CYS A 86 0.645 1.668 -4.392 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.211 -1.284 -2.865 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.054 -2.056 -4.266 1.00 0.00 S ATOM 0 H CYS A 86 1.860 -1.231 -1.529 1.00 0.00 H new ATOM 0 HA CYS A 86 1.343 -0.729 -4.240 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.124 -2.064 -2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.926 -0.668 -2.319 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.913 -2.929 -3.829 1.00 0.00 H new ATOM 1343 N LEU A 87 0.141 1.591 -2.201 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.286 2.984 -2.137 1.00 0.00 C ATOM 1345 C LEU A 87 0.817 3.864 -1.557 1.00 0.00 C ATOM 1346 O LEU A 87 0.548 4.796 -0.798 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.555 3.113 -1.291 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.589 2.004 -1.500 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.482 1.871 -0.276 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.421 2.279 -2.743 1.00 0.00 C ATOM 0 H LEU A 87 0.076 1.089 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.499 3.320 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.271 3.131 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.024 4.072 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.060 1.061 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.211 1.078 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.873 1.627 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.003 2.812 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.151 1.481 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.941 3.230 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.769 2.323 -3.615 1.00 0.00 H new ATOM 1362 N ALA A 88 2.059 3.560 -1.918 1.00 0.00 N ATOM 1363 CA ALA A 88 3.205 4.321 -1.433 1.00 0.00 C ATOM 1364 C ALA A 88 3.147 5.768 -1.913 1.00 0.00 C ATOM 1365 O ALA A 88 3.495 6.690 -1.177 1.00 0.00 O ATOM 1366 CB ALA A 88 4.501 3.666 -1.884 1.00 0.00 C ATOM 0 H ALA A 88 2.298 2.792 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 88 3.172 4.326 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.348 4.244 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.553 2.652 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.532 3.632 -2.973 1.00 0.00 H new ATOM 1372 N GLU A 89 2.709 5.959 -3.152 1.00 0.00 N ATOM 1373 CA GLU A 89 2.607 7.295 -3.731 1.00 0.00 C ATOM 1374 C GLU A 89 1.405 8.048 -3.166 1.00 0.00 C ATOM 1375 O GLU A 89 1.492 9.237 -2.863 1.00 0.00 O ATOM 1376 CB GLU A 89 2.497 7.206 -5.254 1.00 0.00 C ATOM 1377 CG GLU A 89 3.734 6.628 -5.921 1.00 0.00 C ATOM 1378 CD GLU A 89 3.913 7.119 -7.344 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.312 6.517 -8.259 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.653 8.105 -7.544 1.00 0.00 O ATOM 0 H GLU A 89 2.419 5.206 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 89 3.511 7.845 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.635 6.591 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.310 8.202 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.615 6.893 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.667 5.540 -5.922 1.00 0.00 H new ATOM 1387 N GLU A 90 0.283 7.347 -3.036 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.941 7.946 -2.516 1.00 0.00 C ATOM 1389 C GLU A 90 -0.870 8.137 -1.003 1.00 0.00 C ATOM 1390 O GLU A 90 -1.487 9.050 -0.455 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.148 7.078 -2.873 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.359 6.916 -4.370 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.900 5.564 -4.882 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -2.683 4.596 -4.783 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -0.759 5.475 -5.380 1.00 0.00 O ATOM 0 H GLU A 90 0.196 6.361 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.052 8.927 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.022 6.093 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.044 7.517 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.416 7.047 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.818 7.702 -4.896 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.124 7.263 -0.329 1.00 0.00 N ATOM 1403 CA LEU A 91 0.016 7.330 1.124 1.00 0.00 C ATOM 1404 C LEU A 91 0.303 8.757 1.599 1.00 0.00 C ATOM 1405 O LEU A 91 -0.449 9.313 2.397 1.00 0.00 O ATOM 1406 CB LEU A 91 1.127 6.386 1.596 1.00 0.00 C ATOM 1407 CG LEU A 91 0.642 5.056 2.178 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.814 4.256 2.726 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.396 5.295 3.265 1.00 0.00 C ATOM 0 H LEU A 91 0.393 6.500 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.932 7.016 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.788 6.178 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.723 6.899 2.350 1.00 0.00 H new ATOM 0 HG LEU A 91 0.175 4.480 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.451 3.313 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.523 4.054 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.309 4.827 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.729 4.338 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.045 5.891 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.248 5.828 2.843 1.00 0.00 H new ATOM 1421 N PRO A 92 1.399 9.369 1.116 1.00 0.00 N ATOM 1422 CA PRO A 92 1.776 10.733 1.498 1.00 0.00 C ATOM 1423 C PRO A 92 0.589 11.693 1.485 1.00 0.00 C ATOM 1424 O PRO A 92 0.521 12.621 2.292 1.00 0.00 O ATOM 1425 CB PRO A 92 2.790 11.125 0.426 1.00 0.00 C ATOM 1426 CG PRO A 92 3.420 9.839 0.016 1.00 0.00 C ATOM 1427 CD PRO A 92 2.358 8.779 0.163 1.00 0.00 C ATOM 0 HA PRO A 92 2.164 10.780 2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.305 11.616 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.531 11.822 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.776 9.892 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.284 9.613 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.884 8.553 -0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.775 7.846 0.541 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.342 11.464 0.565 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.526 12.309 0.449 1.00 0.00 C ATOM 1437 C HIS A 93 -2.519 12.014 1.569 1.00 0.00 C ATOM 1438 O HIS A 93 -3.260 12.897 2.003 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.195 12.100 -0.911 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.315 12.449 -2.070 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.596 13.475 -2.947 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.151 11.901 -2.497 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.645 13.544 -3.861 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.243 12.600 -3.610 1.00 0.00 N ATOM 0 H HIS A 93 -0.300 10.701 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.210 13.348 0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.502 11.058 -0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.101 12.704 -0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.369 11.069 -2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.601 14.252 -4.675 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.086 12.419 -4.155 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.530 10.768 2.031 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.431 10.356 3.100 1.00 0.00 C ATOM 1455 C ILE A 94 -2.952 10.870 4.453 1.00 0.00 C ATOM 1456 O ILE A 94 -1.799 10.666 4.833 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.560 8.820 3.168 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.813 8.242 1.774 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.676 8.424 4.123 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.124 8.686 1.164 1.00 0.00 C ATOM 0 H ILE A 94 -1.924 10.026 1.681 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.406 10.787 2.872 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.623 8.409 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.997 8.536 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.799 7.154 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.755 7.337 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.455 8.806 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.619 8.844 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.236 8.238 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.948 8.369 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.133 9.772 1.073 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.844 11.535 5.179 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.511 12.075 6.492 1.00 0.00 C ATOM 1474 C HIS A 95 -3.444 10.961 7.532 1.00 0.00 C ATOM 1475 O HIS A 95 -2.638 11.012 8.460 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.544 13.122 6.915 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.084 13.995 8.041 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -4.297 13.688 9.368 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -3.417 15.173 8.033 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.783 14.639 10.127 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.243 15.552 9.341 1.00 0.00 N ATOM 0 H HIS A 95 -4.803 11.713 4.881 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.532 12.549 6.426 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.787 13.748 6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.463 12.615 7.211 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.084 15.714 7.160 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.801 14.665 11.207 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.773 16.401 9.655 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.294 9.954 7.365 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.333 8.823 8.283 1.00 0.00 C ATOM 1492 C ALA A 96 -4.799 7.559 7.571 1.00 0.00 C ATOM 1493 O ALA A 96 -5.927 7.489 7.083 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.242 9.132 9.463 1.00 0.00 C ATOM 0 H ALA A 96 -4.967 9.898 6.600 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.323 8.650 8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.262 8.278 10.141 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.866 10.007 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.251 9.332 9.102 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.922 6.561 7.512 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.244 5.299 6.856 1.00 0.00 C ATOM 1502 C PHE A 97 -4.134 4.132 7.831 1.00 0.00 C ATOM 1503 O PHE A 97 -3.184 4.048 8.610 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.314 5.071 5.662 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.740 3.935 4.777 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.347 2.637 5.056 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.534 4.167 3.666 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.737 1.590 4.243 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.927 3.124 2.848 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.528 1.833 3.137 1.00 0.00 C ATOM 0 H PHE A 97 -2.984 6.602 7.910 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.274 5.355 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.267 5.984 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.306 4.877 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.728 2.441 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.850 5.174 3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.424 0.582 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.545 3.318 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.834 1.016 2.500 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.112 3.234 7.782 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.126 2.069 8.660 1.00 0.00 C ATOM 1522 C GLU A 98 -5.568 0.823 7.899 1.00 0.00 C ATOM 1523 O GLU A 98 -6.610 0.821 7.244 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.059 2.313 9.849 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.798 1.386 11.025 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.046 2.069 12.150 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -5.539 3.099 12.654 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -3.964 1.572 12.527 1.00 0.00 O ATOM 0 H GLU A 98 -5.906 3.290 7.144 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.113 1.908 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.950 3.346 10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.091 2.190 9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.748 1.010 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.227 0.523 10.683 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.769 -0.234 7.989 1.00 0.00 N ATOM 1536 CA GLN A 99 -5.077 -1.486 7.307 1.00 0.00 C ATOM 1537 C GLN A 99 -4.960 -2.671 8.260 1.00 0.00 C ATOM 1538 O GLN A 99 -4.283 -2.592 9.285 1.00 0.00 O ATOM 1539 CB GLN A 99 -4.143 -1.684 6.112 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.669 -1.578 6.467 1.00 0.00 C ATOM 1541 CD GLN A 99 -2.070 -2.909 6.876 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -2.333 -3.412 7.969 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -1.259 -3.488 5.997 1.00 0.00 N ATOM 0 H GLN A 99 -3.903 -0.249 8.528 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.106 -1.431 6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.333 -2.663 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.379 -0.941 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.120 -1.185 5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.546 -0.863 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.069 -3.035 5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.826 -4.385 6.216 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.625 -3.769 7.914 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.594 -4.973 8.736 1.00 0.00 C ATOM 1554 C LYS A 100 -5.622 -6.225 7.866 1.00 0.00 C ATOM 1555 O LYS A 100 -6.563 -6.442 7.103 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.780 -4.984 9.704 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.637 -5.995 10.829 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.476 -5.606 12.036 1.00 0.00 C ATOM 1559 CE LYS A 100 -8.804 -6.346 12.053 1.00 0.00 C ATOM 1560 NZ LYS A 100 -9.861 -5.574 12.762 1.00 0.00 N ATOM 0 H LYS A 100 -6.192 -3.849 7.070 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.666 -4.970 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.897 -3.989 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.691 -5.200 9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.941 -6.980 10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.590 -6.070 11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.924 -5.826 12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.657 -4.531 12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.123 -6.543 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.674 -7.314 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.751 -6.113 12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.569 -5.408 13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.003 -4.661 12.285 1.00 0.00 H new ATOM 1574 N THR A 101 -4.584 -7.046 7.987 1.00 0.00 N ATOM 1575 CA THR A 101 -4.489 -8.276 7.209 1.00 0.00 C ATOM 1576 C THR A 101 -4.693 -9.499 8.097 1.00 0.00 C ATOM 1577 O THR A 101 -4.114 -9.597 9.179 1.00 0.00 O ATOM 1578 CB THR A 101 -3.129 -8.360 6.512 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.111 -8.694 7.438 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.725 -7.071 5.829 1.00 0.00 C ATOM 0 H THR A 101 -3.798 -6.882 8.616 1.00 0.00 H new ATOM 0 HA THR A 101 -5.276 -8.261 6.455 1.00 0.00 H new ATOM 0 HB THR A 101 -3.241 -9.134 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.364 -8.067 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.752 -7.200 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.466 -6.813 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.666 -6.271 6.567 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.519 -10.430 7.631 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.800 -11.648 8.383 1.00 0.00 C ATOM 1590 C LEU A 102 -6.046 -12.823 7.441 1.00 0.00 C ATOM 1591 O LEU A 102 -6.274 -12.636 6.245 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.015 -11.444 9.292 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.687 -11.022 10.726 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.958 -10.918 11.554 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.713 -12.004 11.359 1.00 0.00 C ATOM 0 H LEU A 102 -6.005 -10.365 6.737 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.930 -11.874 8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.661 -10.688 8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.586 -12.372 9.324 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.215 -10.040 10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.706 -10.617 12.571 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.622 -10.176 11.110 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.458 -11.886 11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.490 -11.689 12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.158 -12.999 11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.792 -12.029 10.777 1.00 0.00 H new ATOM 1607 N THR A 103 -5.996 -14.033 7.988 1.00 0.00 N ATOM 1608 CA THR A 103 -6.213 -15.239 7.196 1.00 0.00 C ATOM 1609 C THR A 103 -7.695 -15.604 7.156 1.00 0.00 C ATOM 1610 O THR A 103 -8.455 -15.252 8.058 1.00 0.00 O ATOM 1611 CB THR A 103 -5.404 -16.402 7.769 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.800 -16.682 9.100 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.912 -16.148 7.779 1.00 0.00 C ATOM 0 H THR A 103 -5.807 -14.205 8.976 1.00 0.00 H new ATOM 0 HA THR A 103 -5.879 -15.041 6.178 1.00 0.00 H new ATOM 0 HB THR A 103 -5.608 -17.246 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.272 -17.430 9.448 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.398 -17.013 8.198 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.565 -15.979 6.760 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.697 -15.269 8.386 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.126 -16.321 6.104 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.525 -16.734 5.950 1.00 0.00 C ATOM 1623 C PRO A 104 -10.048 -17.475 7.177 1.00 0.00 C ATOM 1624 O PRO A 104 -11.122 -17.162 7.692 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.492 -17.668 4.737 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.291 -17.246 3.965 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.286 -16.784 4.983 1.00 0.00 C ATOM 0 HA PRO A 104 -10.190 -15.879 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.419 -18.712 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.399 -17.574 4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.896 -18.073 3.374 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.537 -16.445 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.620 -17.592 5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.658 -15.983 4.593 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.283 -18.458 7.639 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.669 -19.243 8.805 1.00 0.00 C ATOM 1637 C GLU A 105 -9.835 -18.352 10.033 1.00 0.00 C ATOM 1638 O GLU A 105 -10.686 -18.605 10.885 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.625 -20.326 9.085 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.087 -21.374 10.085 1.00 0.00 C ATOM 1641 CD GLU A 105 -8.423 -21.220 11.440 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -7.246 -21.619 11.572 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -9.079 -20.703 12.368 1.00 0.00 O ATOM 0 H GLU A 105 -8.392 -18.730 7.224 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.627 -19.717 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.366 -20.819 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.716 -19.855 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.168 -21.305 10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.873 -22.367 9.690 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.017 -17.308 10.114 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.073 -16.379 11.237 1.00 0.00 C ATOM 1652 C GLN A 106 -10.342 -15.534 11.182 1.00 0.00 C ATOM 1653 O GLN A 106 -10.998 -15.313 12.199 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.842 -15.471 11.237 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.662 -16.048 12.003 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.748 -15.782 13.494 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -7.454 -16.480 14.221 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.028 -14.768 13.956 1.00 0.00 N ATOM 0 H GLN A 106 -8.308 -17.084 9.416 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.086 -16.962 12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.539 -15.283 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.111 -14.508 11.671 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.613 -17.123 11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.737 -15.621 11.614 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.456 -14.216 13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.046 -14.541 14.950 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.681 -15.064 9.986 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.872 -14.243 9.797 1.00 0.00 C ATOM 1669 C TRP A 107 -13.138 -15.089 9.887 1.00 0.00 C ATOM 1670 O TRP A 107 -14.101 -14.713 10.557 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.816 -13.529 8.447 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.307 -12.117 8.512 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.574 -11.680 8.268 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.539 -10.957 8.851 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.642 -10.316 8.426 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.405 -9.849 8.785 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.203 -10.748 9.200 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.977 -8.553 9.056 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.778 -9.461 9.470 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.663 -8.377 9.397 1.00 0.00 C ATOM 0 H TRP A 107 -10.148 -15.237 9.134 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.898 -13.498 10.593 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.789 -13.534 8.082 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.415 -14.083 7.724 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.404 -12.313 7.991 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.477 -9.745 8.297 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.514 -11.578 9.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.657 -7.716 8.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.747 -9.288 9.742 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.301 -7.383 9.614 1.00 0.00 H new ATOM 1691 N THR A 108 -13.131 -16.232 9.209 1.00 0.00 N ATOM 1692 CA THR A 108 -14.280 -17.131 9.212 1.00 0.00 C ATOM 1693 C THR A 108 -14.623 -17.571 10.632 1.00 0.00 C ATOM 1694 O THR A 108 -15.785 -17.823 10.950 1.00 0.00 O ATOM 1695 CB THR A 108 -13.997 -18.355 8.340 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.406 -17.971 7.112 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.238 -19.160 8.020 1.00 0.00 C ATOM 0 H THR A 108 -12.342 -16.558 8.650 1.00 0.00 H new ATOM 0 HA THR A 108 -15.134 -16.591 8.803 1.00 0.00 H new ATOM 0 HB THR A 108 -13.320 -18.977 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.436 -18.099 7.162 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.968 -20.014 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.691 -19.514 8.946 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.951 -18.533 7.484 1.00 0.00 H new