USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=10 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 80 HIS :FLIP no HD1:sc= 0 F(o=-2.6,f=-1.4) USER MOD Set 1.2: A 99 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.2!) USER MOD Single : A 31 SER OG : rot 35:sc= 0.168 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0.0217 (180deg=0.00827) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 61 SER OG : rot -13:sc= 0.597 USER MOD Single : A 68 SER OG : rot 176:sc= 0.218 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 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.8!) USER MOD Single : A 86 CYS SG : rot -4:sc= 0.553 USER MOD Single : A 93 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=0.00016) USER MOD Single : A 95 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.41) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -90:sc= -0.242 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.8!) USER MOD Single : A 108 THR OG1 : rot 87:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.851 7.436 -3.765 1.00 0.00 N ATOM 428 CA SER A 31 -11.186 7.027 -3.345 1.00 0.00 C ATOM 429 C SER A 31 -11.120 5.790 -2.454 1.00 0.00 C ATOM 430 O SER A 31 -10.143 5.042 -2.485 1.00 0.00 O ATOM 431 CB SER A 31 -12.065 6.744 -4.564 1.00 0.00 C ATOM 432 OG SER A 31 -12.020 7.820 -5.485 1.00 0.00 O ATOM 0 HA SER A 31 -11.625 7.844 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.731 5.829 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.094 6.578 -4.244 1.00 0.00 H new ATOM 0 HG SER A 31 -11.125 8.219 -5.478 1.00 0.00 H new ATOM 438 N ALA A 32 -12.167 5.581 -1.661 1.00 0.00 N ATOM 439 CA ALA A 32 -12.227 4.435 -0.762 1.00 0.00 C ATOM 440 C ALA A 32 -12.123 3.124 -1.534 1.00 0.00 C ATOM 441 O ALA A 32 -11.255 2.296 -1.257 1.00 0.00 O ATOM 442 CB ALA A 32 -13.512 4.470 0.052 1.00 0.00 C ATOM 0 H ALA A 32 -12.984 6.190 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.377 4.493 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.544 3.609 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.545 5.386 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.369 4.440 -0.620 1.00 0.00 H new ATOM 448 N ASP A 33 -13.015 2.942 -2.503 1.00 0.00 N ATOM 449 CA ASP A 33 -13.022 1.732 -3.317 1.00 0.00 C ATOM 450 C ASP A 33 -11.726 1.598 -4.109 1.00 0.00 C ATOM 451 O ASP A 33 -11.278 0.489 -4.401 1.00 0.00 O ATOM 452 CB ASP A 33 -14.218 1.742 -4.271 1.00 0.00 C ATOM 453 CG ASP A 33 -14.760 0.351 -4.533 1.00 0.00 C ATOM 454 OD1 ASP A 33 -13.997 -0.499 -5.037 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.950 0.112 -4.236 1.00 0.00 O ATOM 0 H ASP A 33 -13.741 3.616 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.106 0.876 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.009 2.364 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.922 2.197 -5.216 1.00 0.00 H new ATOM 460 N TYR A 34 -11.127 2.733 -4.454 1.00 0.00 N ATOM 461 CA TYR A 34 -9.883 2.742 -5.212 1.00 0.00 C ATOM 462 C TYR A 34 -8.784 1.992 -4.467 1.00 0.00 C ATOM 463 O TYR A 34 -8.109 1.134 -5.036 1.00 0.00 O ATOM 464 CB TYR A 34 -9.439 4.180 -5.486 1.00 0.00 C ATOM 465 CG TYR A 34 -8.172 4.279 -6.307 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.065 3.635 -7.532 1.00 0.00 C ATOM 467 CD2 TYR A 34 -7.084 5.016 -5.854 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.908 3.722 -8.285 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.926 5.109 -6.602 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.843 4.460 -7.816 1.00 0.00 C ATOM 471 OH TYR A 34 -4.690 4.549 -8.562 1.00 0.00 O ATOM 0 H TYR A 34 -11.484 3.659 -4.220 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.063 2.237 -6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.240 4.706 -6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.286 4.691 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.898 3.057 -7.903 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.145 5.524 -4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.840 3.214 -9.236 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.090 5.687 -6.238 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.037 5.107 -8.090 1.00 0.00 H new ATOM 481 N LEU A 35 -8.609 2.321 -3.192 1.00 0.00 N ATOM 482 CA LEU A 35 -7.592 1.678 -2.368 1.00 0.00 C ATOM 483 C LEU A 35 -7.980 0.238 -2.048 1.00 0.00 C ATOM 484 O LEU A 35 -7.119 -0.628 -1.893 1.00 0.00 O ATOM 485 CB LEU A 35 -7.384 2.463 -1.071 1.00 0.00 C ATOM 486 CG LEU A 35 -7.258 3.977 -1.243 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.140 4.662 0.110 1.00 0.00 C ATOM 488 CD2 LEU A 35 -6.060 4.315 -2.119 1.00 0.00 C ATOM 0 H LEU A 35 -9.159 3.030 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.659 1.667 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.219 2.257 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.484 2.092 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.159 4.343 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.051 5.739 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.028 4.447 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.256 4.291 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.985 5.397 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.150 3.934 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.186 3.856 -3.100 1.00 0.00 H new ATOM 500 N ARG A 36 -9.282 -0.012 -1.950 1.00 0.00 N ATOM 501 CA ARG A 36 -9.784 -1.348 -1.648 1.00 0.00 C ATOM 502 C ARG A 36 -9.506 -2.308 -2.800 1.00 0.00 C ATOM 503 O ARG A 36 -8.876 -3.349 -2.615 1.00 0.00 O ATOM 504 CB ARG A 36 -11.286 -1.296 -1.363 1.00 0.00 C ATOM 505 CG ARG A 36 -11.769 -2.412 -0.451 1.00 0.00 C ATOM 506 CD ARG A 36 -13.244 -2.709 -0.668 1.00 0.00 C ATOM 507 NE ARG A 36 -13.513 -3.189 -2.021 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.644 -3.791 -2.384 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.612 -3.989 -1.498 1.00 0.00 N ATOM 510 NH2 ARG A 36 -14.806 -4.196 -3.636 1.00 0.00 N ATOM 0 H ARG A 36 -10.008 0.693 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.264 -1.714 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.528 -0.335 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.829 -1.348 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.184 -3.313 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.602 -2.131 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.573 -3.456 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.827 -1.807 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.792 -3.055 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.492 -3.680 -0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.476 -4.451 -1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.065 -4.046 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.672 -4.657 -3.915 1.00 0.00 H new ATOM 524 N GLU A 37 -9.982 -1.952 -3.988 1.00 0.00 N ATOM 525 CA GLU A 37 -9.786 -2.783 -5.171 1.00 0.00 C ATOM 526 C GLU A 37 -8.302 -2.968 -5.470 1.00 0.00 C ATOM 527 O GLU A 37 -7.890 -4.002 -5.997 1.00 0.00 O ATOM 528 CB GLU A 37 -10.487 -2.159 -6.380 1.00 0.00 C ATOM 529 CG GLU A 37 -12.001 -2.115 -6.250 1.00 0.00 C ATOM 530 CD GLU A 37 -12.687 -3.193 -7.066 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.631 -3.121 -8.312 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.280 -4.109 -6.459 1.00 0.00 O ATOM 0 H GLU A 37 -10.506 -1.094 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.221 -3.762 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.113 -1.145 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.224 -2.724 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.275 -2.228 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.361 -1.137 -6.570 1.00 0.00 H new ATOM 539 N LYS A 38 -7.504 -1.960 -5.132 1.00 0.00 N ATOM 540 CA LYS A 38 -6.065 -2.014 -5.366 1.00 0.00 C ATOM 541 C LYS A 38 -5.434 -3.188 -4.626 1.00 0.00 C ATOM 542 O LYS A 38 -4.839 -4.073 -5.241 1.00 0.00 O ATOM 543 CB LYS A 38 -5.408 -0.706 -4.923 1.00 0.00 C ATOM 544 CG LYS A 38 -3.936 -0.610 -5.291 1.00 0.00 C ATOM 545 CD LYS A 38 -3.514 0.832 -5.527 1.00 0.00 C ATOM 546 CE LYS A 38 -2.018 0.939 -5.780 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.689 2.072 -6.688 1.00 0.00 N ATOM 0 H LYS A 38 -7.829 -1.097 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.902 -2.154 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.942 0.130 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.511 -0.605 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.331 -1.041 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.745 -1.198 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.059 1.237 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.782 1.437 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.498 1.071 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.656 0.008 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.695 2.002 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.304 2.035 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.839 2.972 -6.189 1.00 0.00 H new ATOM 561 N LEU A 39 -5.570 -3.191 -3.304 1.00 0.00 N ATOM 562 CA LEU A 39 -5.013 -4.258 -2.479 1.00 0.00 C ATOM 563 C LEU A 39 -5.642 -5.603 -2.826 1.00 0.00 C ATOM 564 O LEU A 39 -5.008 -6.650 -2.694 1.00 0.00 O ATOM 565 CB LEU A 39 -5.228 -3.948 -0.996 1.00 0.00 C ATOM 566 CG LEU A 39 -4.639 -2.619 -0.521 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.016 -2.357 0.929 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.127 -2.617 -0.689 1.00 0.00 C ATOM 0 H LEU A 39 -6.061 -2.466 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.943 -4.317 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.299 -3.947 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.792 -4.753 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.054 -1.819 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.588 -1.407 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.101 -2.316 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.629 -3.160 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.724 -1.664 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.694 -3.426 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.878 -2.759 -1.741 1.00 0.00 H new ATOM 580 N ARG A 40 -6.896 -5.567 -3.267 1.00 0.00 N ATOM 581 CA ARG A 40 -7.616 -6.783 -3.632 1.00 0.00 C ATOM 582 C ARG A 40 -6.880 -7.558 -4.711 1.00 0.00 C ATOM 583 O ARG A 40 -6.519 -8.720 -4.520 1.00 0.00 O ATOM 584 CB ARG A 40 -9.029 -6.441 -4.107 1.00 0.00 C ATOM 585 CG ARG A 40 -10.055 -7.518 -3.790 1.00 0.00 C ATOM 586 CD ARG A 40 -10.323 -8.404 -4.995 1.00 0.00 C ATOM 587 NE ARG A 40 -11.698 -8.898 -5.016 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.293 -9.387 -6.103 1.00 0.00 C ATOM 589 NH1 ARG A 40 -11.639 -9.447 -7.256 1.00 0.00 N ATOM 590 NH2 ARG A 40 -13.546 -9.815 -6.035 1.00 0.00 N ATOM 0 H ARG A 40 -7.435 -4.708 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.678 -7.412 -2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.342 -5.505 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.011 -6.274 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.699 -8.129 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.985 -7.052 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.125 -7.843 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.634 -9.249 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.233 -8.867 -4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.675 -9.118 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.100 -9.822 -8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.053 -9.770 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.003 -10.190 -6.867 1.00 0.00 H new ATOM 604 N GLN A 41 -6.666 -6.915 -5.844 1.00 0.00 N ATOM 605 CA GLN A 41 -5.980 -7.555 -6.955 1.00 0.00 C ATOM 606 C GLN A 41 -4.479 -7.649 -6.696 1.00 0.00 C ATOM 607 O GLN A 41 -3.814 -8.567 -7.175 1.00 0.00 O ATOM 608 CB GLN A 41 -6.243 -6.794 -8.256 1.00 0.00 C ATOM 609 CG GLN A 41 -5.944 -5.307 -8.162 1.00 0.00 C ATOM 610 CD GLN A 41 -5.311 -4.758 -9.426 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.006 -4.327 -10.345 1.00 0.00 O ATOM 612 NE2 GLN A 41 -3.984 -4.773 -9.476 1.00 0.00 N ATOM 0 H GLN A 41 -6.956 -5.953 -6.021 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.373 -8.567 -7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.636 -7.229 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.286 -6.929 -8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.868 -4.766 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.277 -5.127 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.448 -5.140 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.501 -4.417 -10.301 1.00 0.00 H new ATOM 621 N ASP A 42 -3.950 -6.692 -5.940 1.00 0.00 N ATOM 622 CA ASP A 42 -2.525 -6.669 -5.623 1.00 0.00 C ATOM 623 C ASP A 42 -2.094 -7.966 -4.944 1.00 0.00 C ATOM 624 O ASP A 42 -1.105 -8.585 -5.339 1.00 0.00 O ATOM 625 CB ASP A 42 -2.203 -5.474 -4.723 1.00 0.00 C ATOM 626 CG ASP A 42 -1.558 -4.334 -5.486 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.709 -4.288 -6.724 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.901 -3.488 -4.843 1.00 0.00 O ATOM 0 H ASP A 42 -4.485 -5.923 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.972 -6.572 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.120 -5.120 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.537 -5.795 -3.922 1.00 0.00 H new ATOM 633 N LEU A 43 -2.838 -8.371 -3.920 1.00 0.00 N ATOM 634 CA LEU A 43 -2.528 -9.594 -3.187 1.00 0.00 C ATOM 635 C LEU A 43 -3.619 -10.649 -3.374 1.00 0.00 C ATOM 636 O LEU A 43 -3.619 -11.677 -2.697 1.00 0.00 O ATOM 637 CB LEU A 43 -2.354 -9.287 -1.698 1.00 0.00 C ATOM 638 CG LEU A 43 -1.044 -8.587 -1.331 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.269 -7.581 -0.212 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.009 -9.609 -0.927 1.00 0.00 C ATOM 0 H LEU A 43 -3.659 -7.871 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.596 -9.994 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.186 -8.663 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.418 -10.221 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.684 -8.048 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.326 -7.094 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.991 -6.831 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.652 -8.096 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.935 -9.095 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.345 -10.174 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.192 -10.291 -1.758 1.00 0.00 H new ATOM 652 N GLU A 44 -4.547 -10.392 -4.294 1.00 0.00 N ATOM 653 CA GLU A 44 -5.637 -11.326 -4.563 1.00 0.00 C ATOM 654 C GLU A 44 -6.369 -11.701 -3.277 1.00 0.00 C ATOM 655 O GLU A 44 -5.946 -12.601 -2.551 1.00 0.00 O ATOM 656 CB GLU A 44 -5.098 -12.586 -5.242 1.00 0.00 C ATOM 657 CG GLU A 44 -4.970 -12.457 -6.750 1.00 0.00 C ATOM 658 CD GLU A 44 -5.341 -13.734 -7.479 1.00 0.00 C ATOM 659 OE1 GLU A 44 -6.355 -14.359 -7.104 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.617 -14.109 -8.426 1.00 0.00 O ATOM 0 H GLU A 44 -4.566 -9.546 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.345 -10.834 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.121 -12.825 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.757 -13.423 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.610 -11.646 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.945 -12.184 -7.002 1.00 0.00 H new ATOM 667 N ALA A 45 -7.467 -11.005 -3.002 1.00 0.00 N ATOM 668 CA ALA A 45 -8.256 -11.265 -1.804 1.00 0.00 C ATOM 669 C ALA A 45 -9.645 -11.782 -2.161 1.00 0.00 C ATOM 670 O ALA A 45 -10.160 -11.509 -3.246 1.00 0.00 O ATOM 671 CB ALA A 45 -8.362 -10.005 -0.958 1.00 0.00 C ATOM 0 H ALA A 45 -7.830 -10.257 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.748 -12.037 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.954 -10.214 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.364 -9.680 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.844 -9.217 -1.537 1.00 0.00 H new ATOM 677 N GLU A 46 -10.247 -12.530 -1.243 1.00 0.00 N ATOM 678 CA GLU A 46 -11.577 -13.086 -1.461 1.00 0.00 C ATOM 679 C GLU A 46 -12.655 -12.051 -1.158 1.00 0.00 C ATOM 680 O GLU A 46 -13.643 -11.937 -1.885 1.00 0.00 O ATOM 681 CB GLU A 46 -11.785 -14.326 -0.588 1.00 0.00 C ATOM 682 CG GLU A 46 -11.317 -15.615 -1.242 1.00 0.00 C ATOM 683 CD GLU A 46 -12.084 -16.828 -0.753 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.743 -17.349 0.329 1.00 0.00 O ATOM 685 OE2 GLU A 46 -13.025 -17.257 -1.454 1.00 0.00 O ATOM 0 H GLU A 46 -9.835 -12.765 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.656 -13.372 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.252 -14.191 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.844 -14.415 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.428 -15.531 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.255 -15.756 -1.041 1.00 0.00 H new ATOM 692 N HIS A 47 -12.459 -11.298 -0.081 1.00 0.00 N ATOM 693 CA HIS A 47 -13.414 -10.271 0.318 1.00 0.00 C ATOM 694 C HIS A 47 -12.702 -9.086 0.964 1.00 0.00 C ATOM 695 O HIS A 47 -11.925 -9.254 1.903 1.00 0.00 O ATOM 696 CB HIS A 47 -14.444 -10.852 1.289 1.00 0.00 C ATOM 697 CG HIS A 47 -15.775 -10.170 1.227 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.180 -9.222 2.144 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.799 -10.303 0.349 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.394 -8.803 1.833 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.791 -9.441 0.749 1.00 0.00 N ATOM 0 H HIS A 47 -11.647 -11.380 0.531 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.926 -9.920 -0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.578 -11.912 1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.055 -10.780 2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.829 -10.963 -0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.965 -8.063 2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.689 -9.315 0.283 1.00 0.00 H new ATOM 710 N VAL A 48 -12.973 -7.890 0.452 1.00 0.00 N ATOM 711 CA VAL A 48 -12.359 -6.677 0.978 1.00 0.00 C ATOM 712 C VAL A 48 -13.411 -5.619 1.291 1.00 0.00 C ATOM 713 O VAL A 48 -14.499 -5.622 0.715 1.00 0.00 O ATOM 714 CB VAL A 48 -11.335 -6.090 -0.013 1.00 0.00 C ATOM 715 CG1 VAL A 48 -10.159 -7.036 -0.190 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.998 -5.794 -1.350 1.00 0.00 C ATOM 0 H VAL A 48 -13.614 -7.735 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.845 -6.957 1.897 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.957 -5.153 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.447 -6.604 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.670 -7.192 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.515 -7.991 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.261 -5.380 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.405 -6.715 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.804 -5.074 -1.205 1.00 0.00 H new ATOM 726 N GLU A 49 -13.079 -4.714 2.206 1.00 0.00 N ATOM 727 CA GLU A 49 -13.995 -3.649 2.595 1.00 0.00 C ATOM 728 C GLU A 49 -13.230 -2.402 3.026 1.00 0.00 C ATOM 729 O GLU A 49 -12.280 -2.483 3.805 1.00 0.00 O ATOM 730 CB GLU A 49 -14.906 -4.121 3.731 1.00 0.00 C ATOM 731 CG GLU A 49 -16.310 -3.544 3.664 1.00 0.00 C ATOM 732 CD GLU A 49 -17.324 -4.539 3.131 1.00 0.00 C ATOM 733 OE1 GLU A 49 -17.751 -5.423 3.904 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.690 -4.434 1.942 1.00 0.00 O ATOM 0 H GLU A 49 -12.182 -4.697 2.692 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.606 -3.396 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.968 -5.209 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.455 -3.848 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.613 -3.219 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.305 -2.659 3.028 1.00 0.00 H new ATOM 741 N VAL A 50 -13.651 -1.249 2.515 1.00 0.00 N ATOM 742 CA VAL A 50 -13.005 0.015 2.848 1.00 0.00 C ATOM 743 C VAL A 50 -13.918 0.887 3.705 1.00 0.00 C ATOM 744 O VAL A 50 -15.135 0.711 3.710 1.00 0.00 O ATOM 745 CB VAL A 50 -12.605 0.794 1.577 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.832 1.131 0.744 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.835 2.055 1.941 1.00 0.00 C ATOM 0 H VAL A 50 -14.436 -1.164 1.869 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.104 -0.226 3.413 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.953 0.159 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.527 1.680 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.335 0.210 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.514 1.745 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.562 2.590 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.459 2.695 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.932 1.785 2.488 1.00 0.00 H new ATOM 757 N GLU A 51 -13.320 1.827 4.430 1.00 0.00 N ATOM 758 CA GLU A 51 -14.078 2.725 5.293 1.00 0.00 C ATOM 759 C GLU A 51 -13.588 4.161 5.152 1.00 0.00 C ATOM 760 O GLU A 51 -12.496 4.409 4.640 1.00 0.00 O ATOM 761 CB GLU A 51 -13.970 2.277 6.752 1.00 0.00 C ATOM 762 CG GLU A 51 -14.886 3.040 7.693 1.00 0.00 C ATOM 763 CD GLU A 51 -16.340 2.979 7.270 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.885 1.858 7.182 1.00 0.00 O ATOM 765 OE2 GLU A 51 -16.934 4.050 7.026 1.00 0.00 O ATOM 0 H GLU A 51 -12.313 1.986 4.437 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.123 2.686 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.203 1.214 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.939 2.398 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.787 2.633 8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.568 4.082 7.738 1.00 0.00 H new ATOM 772 N ASP A 52 -14.405 5.103 5.609 1.00 0.00 N ATOM 773 CA ASP A 52 -14.060 6.516 5.535 1.00 0.00 C ATOM 774 C ASP A 52 -14.670 7.283 6.706 1.00 0.00 C ATOM 775 O ASP A 52 -15.888 7.290 6.889 1.00 0.00 O ATOM 776 CB ASP A 52 -14.542 7.106 4.206 1.00 0.00 C ATOM 777 CG ASP A 52 -14.302 8.600 4.106 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.145 9.029 4.297 1.00 0.00 O ATOM 779 OD2 ASP A 52 -15.272 9.341 3.839 1.00 0.00 O ATOM 0 H ASP A 52 -15.312 4.912 6.035 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.976 6.610 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.031 6.605 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.607 6.905 4.089 1.00 0.00 H new ATOM 904 N SER A 61 -8.705 10.389 5.638 1.00 0.00 N ATOM 905 CA SER A 61 -8.557 9.148 6.388 1.00 0.00 C ATOM 906 C SER A 61 -9.307 8.009 5.705 1.00 0.00 C ATOM 907 O SER A 61 -10.442 8.180 5.260 1.00 0.00 O ATOM 908 CB SER A 61 -9.069 9.328 7.819 1.00 0.00 C ATOM 909 OG SER A 61 -10.055 10.344 7.883 1.00 0.00 O ATOM 0 HA SER A 61 -7.497 8.894 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.487 8.388 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.238 9.581 8.477 1.00 0.00 H new ATOM 0 HG SER A 61 -10.056 10.852 7.045 1.00 0.00 H new ATOM 915 N PHE A 62 -8.666 6.848 5.627 1.00 0.00 N ATOM 916 CA PHE A 62 -9.275 5.682 4.997 1.00 0.00 C ATOM 917 C PHE A 62 -8.764 4.390 5.628 1.00 0.00 C ATOM 918 O PHE A 62 -7.629 4.325 6.099 1.00 0.00 O ATOM 919 CB PHE A 62 -8.983 5.676 3.496 1.00 0.00 C ATOM 920 CG PHE A 62 -9.493 6.892 2.778 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.841 7.024 2.482 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.626 7.903 2.398 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.312 8.142 1.821 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.091 9.023 1.736 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.437 9.143 1.447 1.00 0.00 C ATOM 0 H PHE A 62 -7.727 6.689 5.991 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.352 5.740 5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.906 5.600 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.431 4.787 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.530 6.244 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.573 7.815 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.365 8.233 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.404 9.803 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.804 10.017 0.930 1.00 0.00 H new ATOM 935 N ARG A 63 -9.611 3.367 5.632 1.00 0.00 N ATOM 936 CA ARG A 63 -9.247 2.074 6.203 1.00 0.00 C ATOM 937 C ARG A 63 -9.407 0.965 5.167 1.00 0.00 C ATOM 938 O ARG A 63 -10.501 0.738 4.651 1.00 0.00 O ATOM 939 CB ARG A 63 -10.109 1.773 7.429 1.00 0.00 C ATOM 940 CG ARG A 63 -9.652 0.549 8.207 1.00 0.00 C ATOM 941 CD ARG A 63 -10.749 0.030 9.122 1.00 0.00 C ATOM 942 NE ARG A 63 -10.574 0.481 10.500 1.00 0.00 N ATOM 943 CZ ARG A 63 -9.714 -0.067 11.356 1.00 0.00 C ATOM 944 NH1 ARG A 63 -8.951 -1.086 10.980 1.00 0.00 N ATOM 945 NH2 ARG A 63 -9.617 0.405 12.591 1.00 0.00 N ATOM 0 H ARG A 63 -10.555 3.407 5.247 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.201 2.117 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.100 2.639 8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.141 1.627 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.355 -0.236 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.772 0.800 8.799 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.718 0.365 8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.757 -1.060 9.096 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.144 1.262 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.022 -1.453 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.294 -1.502 11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.201 1.188 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.958 -0.015 13.247 1.00 0.00 H new ATOM 959 N VAL A 64 -8.309 0.280 4.868 1.00 0.00 N ATOM 960 CA VAL A 64 -8.329 -0.804 3.892 1.00 0.00 C ATOM 961 C VAL A 64 -8.358 -2.166 4.578 1.00 0.00 C ATOM 962 O VAL A 64 -7.497 -2.477 5.400 1.00 0.00 O ATOM 963 CB VAL A 64 -7.109 -0.739 2.953 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.133 0.543 2.135 1.00 0.00 C ATOM 965 CG2 VAL A 64 -5.813 -0.851 3.746 1.00 0.00 C ATOM 0 H VAL A 64 -7.395 0.455 5.286 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.238 -0.680 3.303 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.159 -1.583 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.264 0.572 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.043 0.575 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.110 1.403 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.964 -0.803 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.752 -0.030 4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.795 -1.800 4.281 1.00 0.00 H new ATOM 975 N LEU A 65 -9.354 -2.974 4.231 1.00 0.00 N ATOM 976 CA LEU A 65 -9.498 -4.306 4.808 1.00 0.00 C ATOM 977 C LEU A 65 -9.353 -5.378 3.734 1.00 0.00 C ATOM 978 O LEU A 65 -9.879 -5.239 2.629 1.00 0.00 O ATOM 979 CB LEU A 65 -10.856 -4.440 5.502 1.00 0.00 C ATOM 980 CG LEU A 65 -10.987 -5.636 6.446 1.00 0.00 C ATOM 981 CD1 LEU A 65 -11.021 -6.939 5.661 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.846 -5.649 7.454 1.00 0.00 C ATOM 0 H LEU A 65 -10.075 -2.729 3.552 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.708 -4.446 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.049 -3.528 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.631 -4.513 4.739 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.926 -5.540 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.115 -7.777 6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.873 -6.932 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.100 -7.042 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.956 -6.507 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.895 -5.718 6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.869 -4.731 8.041 1.00 0.00 H new ATOM 994 N VAL A 66 -8.637 -6.447 4.064 1.00 0.00 N ATOM 995 CA VAL A 66 -8.424 -7.541 3.124 1.00 0.00 C ATOM 996 C VAL A 66 -8.386 -8.887 3.841 1.00 0.00 C ATOM 997 O VAL A 66 -7.769 -9.023 4.898 1.00 0.00 O ATOM 998 CB VAL A 66 -7.113 -7.357 2.336 1.00 0.00 C ATOM 999 CG1 VAL A 66 -7.007 -8.390 1.225 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -7.024 -5.946 1.773 1.00 0.00 C ATOM 0 H VAL A 66 -8.195 -6.579 4.974 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.264 -7.527 2.430 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.276 -7.506 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.075 -8.244 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.022 -9.391 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.848 -8.277 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.092 -5.833 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.867 -5.767 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.050 -5.226 2.591 1.00 0.00 H new ATOM 1010 N VAL A 67 -9.050 -9.880 3.257 1.00 0.00 N ATOM 1011 CA VAL A 67 -9.093 -11.217 3.836 1.00 0.00 C ATOM 1012 C VAL A 67 -8.665 -12.268 2.817 1.00 0.00 C ATOM 1013 O VAL A 67 -9.285 -12.413 1.763 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.504 -11.561 4.350 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.491 -12.878 5.110 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -11.043 -10.438 5.223 1.00 0.00 C ATOM 0 H VAL A 67 -9.566 -9.783 2.382 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.398 -11.223 4.676 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.166 -11.672 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.497 -13.103 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.152 -13.676 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.815 -12.800 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.040 -10.699 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.382 -10.292 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.094 -9.517 4.642 1.00 0.00 H new ATOM 1026 N SER A 68 -7.603 -12.999 3.137 1.00 0.00 N ATOM 1027 CA SER A 68 -7.095 -14.037 2.247 1.00 0.00 C ATOM 1028 C SER A 68 -5.919 -14.774 2.881 1.00 0.00 C ATOM 1029 O SER A 68 -5.493 -14.446 3.989 1.00 0.00 O ATOM 1030 CB SER A 68 -6.667 -13.427 0.910 1.00 0.00 C ATOM 1031 OG SER A 68 -6.783 -14.369 -0.141 1.00 0.00 O ATOM 0 H SER A 68 -7.078 -12.892 4.005 1.00 0.00 H new ATOM 0 HA SER A 68 -7.898 -14.754 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.283 -12.555 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.636 -13.079 0.979 1.00 0.00 H new ATOM 0 HG SER A 68 -6.560 -13.938 -0.993 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.400 -15.770 2.171 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.274 -16.554 2.662 1.00 0.00 C ATOM 1039 C ALA A 69 -2.943 -15.975 2.190 1.00 0.00 C ATOM 1040 O ALA A 69 -1.889 -16.290 2.744 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.408 -18.003 2.216 1.00 0.00 C ATOM 0 H ALA A 69 -5.742 -16.053 1.253 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.287 -16.514 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.561 -18.578 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.333 -18.421 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.426 -18.048 1.127 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.993 -15.129 1.164 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.788 -14.509 0.620 1.00 0.00 C ATOM 1049 C LYS A 70 -0.958 -13.859 1.724 1.00 0.00 C ATOM 1050 O LYS A 70 0.271 -13.833 1.656 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.161 -13.464 -0.435 1.00 0.00 C ATOM 1052 CG LYS A 70 -0.961 -12.771 -1.060 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.329 -13.623 -2.151 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.308 -13.909 -3.279 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.585 -15.365 -3.418 1.00 0.00 N ATOM 0 H LYS A 70 -3.856 -14.857 0.692 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.188 -15.291 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.741 -13.946 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.806 -12.713 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.270 -11.813 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.221 -12.558 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.547 -13.112 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.018 -14.563 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.242 -13.378 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.904 -13.525 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.256 -15.518 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.698 -15.869 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.994 -15.727 -2.533 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.638 -13.340 2.741 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.964 -12.693 3.860 1.00 0.00 C ATOM 1071 C PHE A 71 -0.323 -13.726 4.780 1.00 0.00 C ATOM 1072 O PHE A 71 0.706 -13.464 5.403 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.951 -11.832 4.649 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.293 -10.536 3.971 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.316 -9.580 3.743 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.591 -10.275 3.560 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.626 -8.387 3.118 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.907 -9.083 2.936 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.924 -8.139 2.714 1.00 0.00 C ATOM 0 H PHE A 71 -2.655 -13.355 2.813 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.178 -12.054 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.867 -12.400 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.530 -11.619 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.300 -9.769 4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.363 -11.011 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.855 -7.650 2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.922 -8.890 2.622 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.169 -7.208 2.225 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.938 -14.902 4.861 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.430 -15.975 5.704 1.00 0.00 C ATOM 1091 C GLU A 72 0.949 -16.429 5.235 1.00 0.00 C ATOM 1092 O GLU A 72 1.776 -16.864 6.036 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.402 -17.156 5.695 1.00 0.00 C ATOM 1094 CG GLU A 72 -2.253 -17.253 6.949 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.515 -17.896 8.107 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -1.325 -19.130 8.078 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.126 -17.165 9.043 1.00 0.00 O ATOM 0 H GLU A 72 -1.790 -15.135 4.351 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.338 -15.595 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.057 -17.070 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.836 -18.080 5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.579 -16.255 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.151 -17.830 6.730 1.00 0.00 H new ATOM 1104 N GLY A 73 1.190 -16.325 3.932 1.00 0.00 N ATOM 1105 CA GLY A 73 2.468 -16.729 3.379 1.00 0.00 C ATOM 1106 C GLY A 73 3.597 -15.803 3.788 1.00 0.00 C ATOM 1107 O GLY A 73 4.647 -16.257 4.245 1.00 0.00 O ATOM 0 H GLY A 73 0.522 -15.968 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.698 -17.743 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.398 -16.753 2.292 1.00 0.00 H new ATOM 1111 N LYS A 74 3.383 -14.502 3.623 1.00 0.00 N ATOM 1112 CA LYS A 74 4.393 -13.511 3.979 1.00 0.00 C ATOM 1113 C LYS A 74 4.299 -13.142 5.458 1.00 0.00 C ATOM 1114 O LYS A 74 3.214 -13.151 6.040 1.00 0.00 O ATOM 1115 CB LYS A 74 4.230 -12.256 3.119 1.00 0.00 C ATOM 1116 CG LYS A 74 4.566 -12.476 1.652 1.00 0.00 C ATOM 1117 CD LYS A 74 3.480 -13.271 0.946 1.00 0.00 C ATOM 1118 CE LYS A 74 3.250 -12.764 -0.468 1.00 0.00 C ATOM 1119 NZ LYS A 74 2.964 -13.876 -1.417 1.00 0.00 N ATOM 0 H LYS A 74 2.521 -14.109 3.246 1.00 0.00 H new ATOM 0 HA LYS A 74 5.374 -13.948 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.202 -11.902 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.870 -11.468 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.693 -11.513 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.516 -13.004 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.760 -14.324 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.552 -13.204 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.417 -12.061 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.130 -12.216 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.813 -13.489 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.769 -14.534 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.109 -14.383 -1.110 1.00 0.00 H new ATOM 1133 N PRO A 75 5.441 -12.813 6.089 1.00 0.00 N ATOM 1134 CA PRO A 75 5.480 -12.441 7.507 1.00 0.00 C ATOM 1135 C PRO A 75 4.527 -11.296 7.832 1.00 0.00 C ATOM 1136 O PRO A 75 3.699 -10.911 7.007 1.00 0.00 O ATOM 1137 CB PRO A 75 6.931 -12.003 7.725 1.00 0.00 C ATOM 1138 CG PRO A 75 7.702 -12.691 6.653 1.00 0.00 C ATOM 1139 CD PRO A 75 6.779 -12.777 5.471 1.00 0.00 C ATOM 0 HA PRO A 75 5.169 -13.264 8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.032 -10.920 7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.286 -12.291 8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.605 -12.134 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.018 -13.683 6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.893 -11.919 4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.971 -13.669 4.874 1.00 0.00 H new ATOM 1147 N LEU A 76 4.648 -10.756 9.040 1.00 0.00 N ATOM 1148 CA LEU A 76 3.798 -9.654 9.474 1.00 0.00 C ATOM 1149 C LEU A 76 4.340 -8.319 8.975 1.00 0.00 C ATOM 1150 O LEU A 76 3.578 -7.427 8.605 1.00 0.00 O ATOM 1151 CB LEU A 76 3.691 -9.636 11.001 1.00 0.00 C ATOM 1152 CG LEU A 76 2.558 -8.774 11.561 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.303 -9.113 13.021 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.888 -7.297 11.404 1.00 0.00 C ATOM 0 H LEU A 76 5.327 -11.064 9.736 1.00 0.00 H new ATOM 0 HA LEU A 76 2.806 -9.804 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.556 -10.659 11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.635 -9.279 11.412 1.00 0.00 H new ATOM 0 HG LEU A 76 1.650 -8.986 10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.494 -8.490 13.403 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.024 -10.163 13.107 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.207 -8.929 13.601 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.072 -6.697 11.807 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.807 -7.070 11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.022 -7.064 10.348 1.00 0.00 H new ATOM 1166 N LEU A 77 5.663 -8.189 8.967 1.00 0.00 N ATOM 1167 CA LEU A 77 6.307 -6.963 8.511 1.00 0.00 C ATOM 1168 C LEU A 77 6.260 -6.854 6.991 1.00 0.00 C ATOM 1169 O LEU A 77 6.210 -5.755 6.438 1.00 0.00 O ATOM 1170 CB LEU A 77 7.759 -6.917 8.992 1.00 0.00 C ATOM 1171 CG LEU A 77 8.632 -8.085 8.529 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.300 -7.758 7.202 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.675 -8.421 9.585 1.00 0.00 C ATOM 0 H LEU A 77 6.309 -8.917 9.271 1.00 0.00 H new ATOM 0 HA LEU A 77 5.763 -6.118 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.211 -5.987 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.764 -6.889 10.082 1.00 0.00 H new ATOM 0 HG LEU A 77 7.994 -8.957 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.917 -8.600 6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.537 -7.566 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.926 -6.873 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.287 -9.254 9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.309 -7.552 9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.176 -8.698 10.514 1.00 0.00 H new ATOM 1185 N GLN A 78 6.274 -8.001 6.320 1.00 0.00 N ATOM 1186 CA GLN A 78 6.234 -8.035 4.862 1.00 0.00 C ATOM 1187 C GLN A 78 4.855 -7.637 4.346 1.00 0.00 C ATOM 1188 O GLN A 78 4.738 -6.860 3.398 1.00 0.00 O ATOM 1189 CB GLN A 78 6.598 -9.431 4.353 1.00 0.00 C ATOM 1190 CG GLN A 78 6.793 -9.498 2.848 1.00 0.00 C ATOM 1191 CD GLN A 78 8.252 -9.405 2.444 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.701 -8.381 1.929 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.000 -10.477 2.676 1.00 0.00 N ATOM 0 H GLN A 78 6.313 -8.919 6.762 1.00 0.00 H new ATOM 0 HA GLN A 78 6.964 -7.317 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.513 -9.761 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.812 -10.130 4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.375 -10.432 2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.237 -8.687 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.586 -11.305 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.989 -10.473 2.425 1.00 0.00 H new ATOM 1202 N ARG A 79 3.814 -8.175 4.972 1.00 0.00 N ATOM 1203 CA ARG A 79 2.442 -7.877 4.573 1.00 0.00 C ATOM 1204 C ARG A 79 2.159 -6.382 4.678 1.00 0.00 C ATOM 1205 O ARG A 79 1.491 -5.805 3.818 1.00 0.00 O ATOM 1206 CB ARG A 79 1.455 -8.657 5.442 1.00 0.00 C ATOM 1207 CG ARG A 79 1.679 -8.476 6.934 1.00 0.00 C ATOM 1208 CD ARG A 79 0.541 -9.074 7.745 1.00 0.00 C ATOM 1209 NE ARG A 79 0.638 -10.528 7.835 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.064 -11.266 8.693 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.914 -10.691 9.533 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.085 -12.584 8.709 1.00 0.00 N ATOM 0 H ARG A 79 3.893 -8.820 5.758 1.00 0.00 H new ATOM 0 HA ARG A 79 2.318 -8.181 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.441 -8.343 5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.529 -9.717 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.619 -8.947 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.772 -7.414 7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.548 -8.648 8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.411 -8.802 7.289 1.00 0.00 H new ATOM 0 HE ARG A 79 1.281 -11.006 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.033 -9.678 9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.449 -11.262 10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.737 -13.031 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.452 -13.150 9.366 1.00 0.00 H new ATOM 1226 N HIS A 80 2.670 -5.759 5.735 1.00 0.00 N ATOM 1227 CA HIS A 80 2.471 -4.331 5.950 1.00 0.00 C ATOM 1228 C HIS A 80 3.287 -3.512 4.954 1.00 0.00 C ATOM 1229 O HIS A 80 2.832 -2.478 4.465 1.00 0.00 O ATOM 1230 CB HIS A 80 2.859 -3.951 7.380 1.00 0.00 C ATOM 1231 CG HIS A 80 1.868 -4.400 8.408 1.00 0.00 C ATOM 1232 ND1 HIS A 80 0.729 -5.123 8.286 1.00 0.00 N flip ATOM 1233 CD2 HIS A 80 1.992 -4.109 9.751 1.00 0.00 C flip ATOM 1234 CE1 HIS A 80 0.194 -5.254 9.543 1.00 0.00 C flip ATOM 1235 NE2 HIS A 80 0.975 -4.634 10.409 1.00 0.00 N flip ATOM 0 H HIS A 80 3.225 -6.221 6.456 1.00 0.00 H new ATOM 0 HA HIS A 80 1.415 -4.109 5.796 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.832 -4.385 7.611 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.970 -2.868 7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.796 -3.540 10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.718 -5.779 9.785 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.819 -4.571 11.415 1.00 0.00 H new ATOM 1244 N ARG A 81 4.495 -3.983 4.659 1.00 0.00 N ATOM 1245 CA ARG A 81 5.374 -3.294 3.721 1.00 0.00 C ATOM 1246 C ARG A 81 4.831 -3.386 2.299 1.00 0.00 C ATOM 1247 O ARG A 81 5.028 -2.479 1.490 1.00 0.00 O ATOM 1248 CB ARG A 81 6.783 -3.889 3.781 1.00 0.00 C ATOM 1249 CG ARG A 81 7.886 -2.855 3.629 1.00 0.00 C ATOM 1250 CD ARG A 81 9.159 -3.475 3.075 1.00 0.00 C ATOM 1251 NE ARG A 81 9.918 -4.179 4.106 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.636 -3.567 5.044 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.696 -2.241 5.086 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.298 -4.282 5.944 1.00 0.00 N ATOM 0 H ARG A 81 4.887 -4.837 5.055 1.00 0.00 H new ATOM 0 HA ARG A 81 5.418 -2.243 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.910 -4.406 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.886 -4.637 2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.550 -2.058 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.094 -2.398 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.905 -4.169 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.781 -2.695 2.636 1.00 0.00 H new ATOM 0 HE ARG A 81 9.896 -5.199 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.190 -1.685 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.248 -1.778 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.257 -5.301 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.849 -3.813 6.663 1.00 0.00 H new ATOM 1268 N LEU A 82 4.146 -4.485 2.002 1.00 0.00 N ATOM 1269 CA LEU A 82 3.573 -4.695 0.677 1.00 0.00 C ATOM 1270 C LEU A 82 2.519 -3.637 0.368 1.00 0.00 C ATOM 1271 O LEU A 82 2.546 -3.011 -0.692 1.00 0.00 O ATOM 1272 CB LEU A 82 2.956 -6.092 0.581 1.00 0.00 C ATOM 1273 CG LEU A 82 3.903 -7.184 0.083 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.529 -8.530 0.686 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.881 -7.254 -1.437 1.00 0.00 C ATOM 0 H LEU A 82 3.974 -5.244 2.661 1.00 0.00 H new ATOM 0 HA LEU A 82 4.374 -4.609 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.583 -6.376 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.095 -6.047 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 82 4.915 -6.935 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.214 -9.295 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.595 -8.473 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.510 -8.787 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.561 -8.036 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.870 -7.480 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.197 -6.296 -1.850 1.00 0.00 H new ATOM 1287 N VAL A 83 1.593 -3.441 1.301 1.00 0.00 N ATOM 1288 CA VAL A 83 0.530 -2.458 1.127 1.00 0.00 C ATOM 1289 C VAL A 83 1.103 -1.057 0.945 1.00 0.00 C ATOM 1290 O VAL A 83 0.547 -0.237 0.215 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.433 -2.454 2.329 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.634 -1.564 2.049 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -0.876 -3.871 2.663 1.00 0.00 C ATOM 0 H VAL A 83 1.557 -3.949 2.185 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.021 -2.742 0.230 1.00 0.00 H new ATOM 0 HB VAL A 83 0.095 -2.050 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.303 -1.574 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.296 -0.544 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.165 -1.935 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.556 -3.848 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.386 -4.305 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.004 -4.476 2.911 1.00 0.00 H new ATOM 1303 N ASN A 84 2.220 -0.788 1.614 1.00 0.00 N ATOM 1304 CA ASN A 84 2.869 0.514 1.527 1.00 0.00 C ATOM 1305 C ASN A 84 3.511 0.714 0.157 1.00 0.00 C ATOM 1306 O ASN A 84 3.616 1.839 -0.332 1.00 0.00 O ATOM 1307 CB ASN A 84 3.927 0.655 2.622 1.00 0.00 C ATOM 1308 CG ASN A 84 3.315 0.872 3.992 1.00 0.00 C ATOM 1309 OD1 ASN A 84 2.177 1.324 4.112 1.00 0.00 O ATOM 1310 ND2 ASN A 84 4.071 0.551 5.036 1.00 0.00 N ATOM 0 H ASN A 84 2.694 -1.455 2.222 1.00 0.00 H new ATOM 0 HA ASN A 84 2.106 1.280 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.547 -0.241 2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.584 1.492 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.713 0.676 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.010 0.179 4.891 1.00 0.00 H new ATOM 1317 N GLU A 85 3.938 -0.384 -0.458 1.00 0.00 N ATOM 1318 CA GLU A 85 4.570 -0.328 -1.772 1.00 0.00 C ATOM 1319 C GLU A 85 3.607 0.227 -2.817 1.00 0.00 C ATOM 1320 O GLU A 85 3.878 1.252 -3.442 1.00 0.00 O ATOM 1321 CB GLU A 85 5.049 -1.719 -2.191 1.00 0.00 C ATOM 1322 CG GLU A 85 6.276 -2.194 -1.429 1.00 0.00 C ATOM 1323 CD GLU A 85 7.259 -2.936 -2.314 1.00 0.00 C ATOM 1324 OE1 GLU A 85 8.105 -2.272 -2.949 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.184 -4.181 -2.371 1.00 0.00 O ATOM 0 H GLU A 85 3.858 -1.323 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 85 5.429 0.340 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.239 -2.433 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.274 -1.711 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.774 -1.336 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.963 -2.846 -0.613 1.00 0.00 H new ATOM 1332 N CYS A 86 2.483 -0.458 -3.003 1.00 0.00 N ATOM 1333 CA CYS A 86 1.481 -0.033 -3.973 1.00 0.00 C ATOM 1334 C CYS A 86 0.901 1.326 -3.597 1.00 0.00 C ATOM 1335 O CYS A 86 0.666 2.173 -4.461 1.00 0.00 O ATOM 1336 CB CYS A 86 0.361 -1.070 -4.068 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.344 -1.543 -2.472 1.00 0.00 S ATOM 0 H CYS A 86 2.244 -1.309 -2.495 1.00 0.00 H new ATOM 0 HA CYS A 86 1.967 0.056 -4.944 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.433 -0.674 -4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.747 -1.962 -4.561 1.00 0.00 H new ATOM 0 HG CYS A 86 0.311 -0.953 -1.516 1.00 0.00 H new ATOM 1343 N LEU A 87 0.671 1.529 -2.305 1.00 0.00 N ATOM 1344 CA LEU A 87 0.118 2.785 -1.812 1.00 0.00 C ATOM 1345 C LEU A 87 1.223 3.693 -1.279 1.00 0.00 C ATOM 1346 O LEU A 87 0.999 4.492 -0.369 1.00 0.00 O ATOM 1347 CB LEU A 87 -0.916 2.512 -0.714 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.377 2.580 -1.164 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -2.801 4.025 -1.389 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -2.589 1.754 -2.425 1.00 0.00 C ATOM 0 H LEU A 87 0.859 0.838 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.372 3.293 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.727 1.523 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.766 3.232 0.091 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.999 2.161 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.843 4.053 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.691 4.585 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.173 4.473 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.634 1.815 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.956 2.140 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.329 0.714 -2.227 1.00 0.00 H new ATOM 1362 N ALA A 88 2.417 3.563 -1.848 1.00 0.00 N ATOM 1363 CA ALA A 88 3.557 4.369 -1.428 1.00 0.00 C ATOM 1364 C ALA A 88 3.405 5.820 -1.870 1.00 0.00 C ATOM 1365 O ALA A 88 3.643 6.744 -1.093 1.00 0.00 O ATOM 1366 CB ALA A 88 4.849 3.782 -1.979 1.00 0.00 C ATOM 0 H ALA A 88 2.620 2.907 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 88 3.595 4.353 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.692 4.393 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.975 2.766 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.806 3.766 -3.068 1.00 0.00 H new ATOM 1372 N GLU A 89 3.010 6.016 -3.123 1.00 0.00 N ATOM 1373 CA GLU A 89 2.830 7.358 -3.668 1.00 0.00 C ATOM 1374 C GLU A 89 1.550 7.998 -3.139 1.00 0.00 C ATOM 1375 O GLU A 89 1.512 9.199 -2.868 1.00 0.00 O ATOM 1376 CB GLU A 89 2.795 7.309 -5.196 1.00 0.00 C ATOM 1377 CG GLU A 89 4.011 6.638 -5.812 1.00 0.00 C ATOM 1378 CD GLU A 89 4.100 6.853 -7.310 1.00 0.00 C ATOM 1379 OE1 GLU A 89 4.206 8.022 -7.738 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.062 5.852 -8.057 1.00 0.00 O ATOM 0 H GLU A 89 2.808 5.263 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 89 3.676 7.967 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.898 6.778 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.717 8.325 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.913 7.025 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.976 5.569 -5.604 1.00 0.00 H new ATOM 1387 N GLU A 90 0.504 7.191 -3.000 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.781 7.679 -2.509 1.00 0.00 C ATOM 1389 C GLU A 90 -0.748 7.916 -1.000 1.00 0.00 C ATOM 1390 O GLU A 90 -1.460 8.779 -0.485 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.890 6.685 -2.857 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.672 7.060 -4.106 1.00 0.00 C ATOM 1393 CD GLU A 90 -2.150 6.370 -5.350 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -2.053 5.125 -5.343 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.838 7.075 -6.333 1.00 0.00 O ATOM 0 H GLU A 90 0.520 6.195 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.984 8.633 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.451 5.697 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.579 6.612 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.721 6.801 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.627 8.140 -4.248 1.00 0.00 H new ATOM 1402 N LEU A 91 0.071 7.140 -0.293 1.00 0.00 N ATOM 1403 CA LEU A 91 0.181 7.260 1.161 1.00 0.00 C ATOM 1404 C LEU A 91 0.358 8.715 1.596 1.00 0.00 C ATOM 1405 O LEU A 91 -0.435 9.234 2.380 1.00 0.00 O ATOM 1406 CB LEU A 91 1.346 6.411 1.680 1.00 0.00 C ATOM 1407 CG LEU A 91 0.939 5.161 2.463 1.00 0.00 C ATOM 1408 CD1 LEU A 91 2.161 4.485 3.061 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.063 5.516 3.552 1.00 0.00 C ATOM 0 H LEU A 91 0.668 6.422 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.751 6.893 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.959 6.106 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.972 7.033 2.319 1.00 0.00 H new ATOM 0 HG LEU A 91 0.464 4.463 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.852 3.598 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.844 4.195 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.665 5.176 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.341 4.615 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.386 6.233 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.952 5.955 3.099 1.00 0.00 H new ATOM 1421 N PRO A 92 1.405 9.395 1.096 1.00 0.00 N ATOM 1422 CA PRO A 92 1.675 10.793 1.443 1.00 0.00 C ATOM 1423 C PRO A 92 0.418 11.658 1.411 1.00 0.00 C ATOM 1424 O PRO A 92 0.276 12.592 2.200 1.00 0.00 O ATOM 1425 CB PRO A 92 2.655 11.233 0.357 1.00 0.00 C ATOM 1426 CG PRO A 92 3.384 9.989 -0.017 1.00 0.00 C ATOM 1427 CD PRO A 92 2.407 8.854 0.159 1.00 0.00 C ATOM 0 HA PRO A 92 2.059 10.897 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.133 11.659 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.339 11.998 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.738 10.041 -1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.261 9.848 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.953 8.566 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.894 7.966 0.562 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.492 11.339 0.496 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.738 12.085 0.366 1.00 0.00 C ATOM 1437 C HIS A 93 -2.705 11.730 1.492 1.00 0.00 C ATOM 1438 O HIS A 93 -3.506 12.560 1.921 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.388 11.800 -0.989 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.607 12.329 -2.151 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.950 13.482 -2.827 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.492 11.859 -2.758 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -1.082 13.696 -3.799 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.187 12.726 -3.778 1.00 0.00 N ATOM 0 H HIS A 93 -0.390 10.570 -0.166 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.505 13.148 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.511 10.723 -1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.386 12.238 -1.003 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.056 10.968 -2.490 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.101 14.523 -4.493 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.603 12.635 -4.416 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.622 10.491 1.965 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.486 10.021 3.041 1.00 0.00 C ATOM 1455 C ILE A 94 -3.040 10.574 4.390 1.00 0.00 C ATOM 1456 O ILE A 94 -1.994 10.191 4.913 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.501 8.482 3.119 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.724 7.877 1.732 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.575 8.009 4.090 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.076 8.208 1.137 1.00 0.00 C ATOM 0 H ILE A 94 -1.964 9.793 1.619 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.490 10.381 2.815 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.532 8.145 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.943 8.233 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.620 6.794 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.572 6.920 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.372 8.412 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.551 8.356 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.164 7.746 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.863 7.828 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.176 9.289 1.040 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.842 11.472 4.954 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.527 12.068 6.248 1.00 0.00 C ATOM 1474 C HIS A 95 -3.465 10.994 7.329 1.00 0.00 C ATOM 1475 O HIS A 95 -2.692 11.098 8.282 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.570 13.123 6.617 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.042 14.195 7.520 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -2.763 14.184 8.034 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.628 15.319 7.998 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -2.585 15.252 8.792 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.701 15.956 8.785 1.00 0.00 N ATOM 0 H HIS A 95 -4.712 11.802 4.537 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.551 12.549 6.176 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.949 13.582 5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.414 12.634 7.102 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.636 15.652 7.797 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.681 15.505 9.326 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.851 16.833 9.284 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.283 9.958 7.167 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.327 8.856 8.119 1.00 0.00 C ATOM 1492 C ALA A 96 -4.690 7.551 7.420 1.00 0.00 C ATOM 1493 O ALA A 96 -5.785 7.413 6.875 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.319 9.155 9.233 1.00 0.00 C ATOM 0 H ALA A 96 -4.926 9.860 6.382 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.335 8.744 8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.339 8.322 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.017 10.063 9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.313 9.295 8.807 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.764 6.600 7.434 1.00 0.00 N ATOM 1501 CA PHE A 97 -3.986 5.308 6.795 1.00 0.00 C ATOM 1502 C PHE A 97 -3.950 4.178 7.818 1.00 0.00 C ATOM 1503 O PHE A 97 -3.109 4.165 8.717 1.00 0.00 O ATOM 1504 CB PHE A 97 -2.931 5.066 5.713 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.383 4.127 4.631 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -4.310 4.533 3.685 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -2.880 2.837 4.560 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.726 3.672 2.687 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -3.292 1.972 3.565 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.216 2.389 2.627 1.00 0.00 C ATOM 0 H PHE A 97 -2.852 6.699 7.881 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.974 5.323 6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.658 6.021 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.031 4.664 6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.712 5.534 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.158 2.505 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.449 4.001 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.892 0.970 3.521 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.539 1.714 1.848 1.00 0.00 H new ATOM 1520 N GLU A 98 -4.867 3.227 7.672 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.943 2.089 8.580 1.00 0.00 C ATOM 1522 C GLU A 98 -5.216 0.801 7.809 1.00 0.00 C ATOM 1523 O GLU A 98 -6.235 0.676 7.132 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.035 2.314 9.626 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.899 1.422 10.849 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.317 2.155 12.042 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -4.096 2.418 12.038 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.081 2.466 12.979 1.00 0.00 O ATOM 0 H GLU A 98 -5.569 3.222 6.932 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.983 1.994 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.014 3.357 9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.008 2.140 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.878 1.023 11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.264 0.571 10.605 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.297 -0.155 7.917 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.440 -1.432 7.228 1.00 0.00 C ATOM 1537 C GLN A 99 -4.737 -2.556 8.216 1.00 0.00 C ATOM 1538 O GLN A 99 -4.333 -2.500 9.377 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.170 -1.754 6.439 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.942 -1.945 7.313 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.860 -2.758 6.631 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.282 -2.315 6.509 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -1.216 -3.955 6.179 1.00 0.00 N ATOM 0 H GLN A 99 -3.447 -0.069 8.474 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.279 -1.350 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.335 -2.660 5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.979 -0.949 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.540 -0.969 7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.234 -2.440 8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.174 -4.282 6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.531 -4.547 5.709 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.445 -3.576 7.744 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.797 -4.717 8.583 1.00 0.00 C ATOM 1554 C LYS A 100 -5.849 -6.000 7.759 1.00 0.00 C ATOM 1555 O LYS A 100 -6.627 -6.110 6.811 1.00 0.00 O ATOM 1556 CB LYS A 100 -7.146 -4.480 9.264 1.00 0.00 C ATOM 1557 CG LYS A 100 -7.572 -5.613 10.182 1.00 0.00 C ATOM 1558 CD LYS A 100 -8.478 -5.116 11.297 1.00 0.00 C ATOM 1559 CE LYS A 100 -9.048 -6.269 12.107 1.00 0.00 C ATOM 1560 NZ LYS A 100 -10.417 -6.642 11.654 1.00 0.00 N ATOM 0 H LYS A 100 -5.787 -3.637 6.785 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.027 -4.826 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.095 -3.556 9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.909 -4.337 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.091 -6.376 9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.689 -6.085 10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.917 -4.451 11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.293 -4.531 10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.389 -7.133 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.077 -5.993 13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.770 -7.432 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.052 -5.825 11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.386 -6.930 10.655 1.00 0.00 H new ATOM 1574 N THR A 101 -5.014 -6.967 8.126 1.00 0.00 N ATOM 1575 CA THR A 101 -4.963 -8.241 7.419 1.00 0.00 C ATOM 1576 C THR A 101 -5.436 -9.382 8.315 1.00 0.00 C ATOM 1577 O THR A 101 -5.004 -9.503 9.462 1.00 0.00 O ATOM 1578 CB THR A 101 -3.541 -8.521 6.928 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.709 -8.921 8.003 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.891 -7.326 6.265 1.00 0.00 C ATOM 0 H THR A 101 -4.364 -6.892 8.908 1.00 0.00 H new ATOM 0 HA THR A 101 -5.631 -8.176 6.560 1.00 0.00 H new ATOM 0 HB THR A 101 -3.642 -9.316 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.289 -8.131 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.885 -7.592 5.940 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.483 -7.023 5.401 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.836 -6.501 6.975 1.00 0.00 H new ATOM 1588 N LEU A 102 -6.323 -10.216 7.785 1.00 0.00 N ATOM 1589 CA LEU A 102 -6.854 -11.348 8.537 1.00 0.00 C ATOM 1590 C LEU A 102 -7.014 -12.570 7.637 1.00 0.00 C ATOM 1591 O LEU A 102 -7.331 -12.445 6.455 1.00 0.00 O ATOM 1592 CB LEU A 102 -8.199 -10.982 9.170 1.00 0.00 C ATOM 1593 CG LEU A 102 -8.136 -10.603 10.652 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -9.532 -10.347 11.197 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -7.442 -11.696 11.451 1.00 0.00 C ATOM 0 H LEU A 102 -6.690 -10.130 6.837 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.145 -11.593 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.629 -10.148 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.879 -11.826 9.055 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.557 -9.685 10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.467 -10.079 12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.995 -9.531 10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.136 -11.248 11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.406 -11.411 12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.995 -12.630 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.427 -11.832 11.077 1.00 0.00 H new ATOM 1607 N THR A 103 -6.792 -13.751 8.208 1.00 0.00 N ATOM 1608 CA THR A 103 -6.912 -14.995 7.458 1.00 0.00 C ATOM 1609 C THR A 103 -8.378 -15.346 7.217 1.00 0.00 C ATOM 1610 O THR A 103 -9.256 -14.941 7.978 1.00 0.00 O ATOM 1611 CB THR A 103 -6.220 -16.134 8.208 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.872 -16.395 9.438 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.764 -15.853 8.512 1.00 0.00 C ATOM 0 H THR A 103 -6.529 -13.871 9.186 1.00 0.00 H new ATOM 0 HA THR A 103 -6.427 -14.857 6.492 1.00 0.00 H new ATOM 0 HB THR A 103 -6.277 -16.994 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.415 -17.128 9.901 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.333 -16.701 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.221 -15.697 7.580 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.687 -14.959 9.131 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.663 -16.111 6.148 1.00 0.00 N ATOM 1622 CA PRO A 104 -10.031 -16.516 5.810 1.00 0.00 C ATOM 1623 C PRO A 104 -10.744 -17.182 6.981 1.00 0.00 C ATOM 1624 O PRO A 104 -11.883 -16.844 7.301 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.836 -17.514 4.665 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.528 -17.144 4.057 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.676 -16.638 5.187 1.00 0.00 C ATOM 0 HA PRO A 104 -10.654 -15.662 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.825 -18.540 5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.644 -17.444 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.065 -18.004 3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.656 -16.379 3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.074 -17.435 5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.985 -15.863 4.854 1.00 0.00 H new ATOM 1635 N GLU A 105 -10.064 -18.131 7.618 1.00 0.00 N ATOM 1636 CA GLU A 105 -10.632 -18.845 8.756 1.00 0.00 C ATOM 1637 C GLU A 105 -10.998 -17.879 9.878 1.00 0.00 C ATOM 1638 O GLU A 105 -12.044 -18.016 10.513 1.00 0.00 O ATOM 1639 CB GLU A 105 -9.643 -19.893 9.272 1.00 0.00 C ATOM 1640 CG GLU A 105 -10.307 -21.180 9.734 1.00 0.00 C ATOM 1641 CD GLU A 105 -11.395 -20.938 10.762 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -11.173 -20.121 11.680 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -12.469 -21.565 10.648 1.00 0.00 O ATOM 0 H GLU A 105 -9.120 -18.423 7.365 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.541 -19.346 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.928 -20.126 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.076 -19.469 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.734 -21.694 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.552 -21.842 10.158 1.00 0.00 H new ATOM 1650 N GLN A 106 -10.130 -16.901 10.117 1.00 0.00 N ATOM 1651 CA GLN A 106 -10.364 -15.911 11.163 1.00 0.00 C ATOM 1652 C GLN A 106 -11.644 -15.130 10.895 1.00 0.00 C ATOM 1653 O GLN A 106 -12.426 -14.866 11.809 1.00 0.00 O ATOM 1654 CB GLN A 106 -9.177 -14.951 11.259 1.00 0.00 C ATOM 1655 CG GLN A 106 -8.066 -15.444 12.172 1.00 0.00 C ATOM 1656 CD GLN A 106 -8.396 -15.263 13.640 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -9.372 -15.821 14.142 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -7.581 -14.479 14.337 1.00 0.00 N ATOM 0 H GLN A 106 -9.259 -16.773 9.601 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.474 -16.438 12.111 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.770 -14.789 10.261 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.530 -13.985 11.620 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.878 -16.499 11.973 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.146 -14.907 11.941 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.784 -14.037 13.879 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.752 -14.319 15.330 1.00 0.00 H new ATOM 1667 N TRP A 107 -11.855 -14.761 9.635 1.00 0.00 N ATOM 1668 CA TRP A 107 -13.042 -14.010 9.247 1.00 0.00 C ATOM 1669 C TRP A 107 -14.280 -14.902 9.252 1.00 0.00 C ATOM 1670 O TRP A 107 -15.368 -14.468 9.629 1.00 0.00 O ATOM 1671 CB TRP A 107 -12.851 -13.393 7.863 1.00 0.00 C ATOM 1672 CG TRP A 107 -13.425 -12.015 7.753 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -14.677 -11.683 7.327 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -12.773 -10.785 8.080 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -14.842 -10.320 7.364 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -13.686 -9.746 7.823 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -11.502 -10.462 8.565 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -13.369 -8.406 8.036 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -11.188 -9.133 8.776 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -12.118 -8.120 8.511 1.00 0.00 C ATOM 0 H TRP A 107 -11.219 -14.970 8.866 1.00 0.00 H new ATOM 0 HA TRP A 107 -13.189 -13.213 9.976 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -11.787 -13.357 7.631 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -13.318 -14.036 7.117 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -15.429 -12.389 7.007 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -15.687 -9.817 7.094 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.779 -11.237 8.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -14.084 -7.622 7.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -10.210 -8.871 9.151 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -11.842 -7.091 8.685 1.00 0.00 H new ATOM 1691 N THR A 108 -14.105 -16.151 8.831 1.00 0.00 N ATOM 1692 CA THR A 108 -15.209 -17.104 8.788 1.00 0.00 C ATOM 1693 C THR A 108 -15.804 -17.312 10.177 1.00 0.00 C ATOM 1694 O THR A 108 -16.999 -17.574 10.318 1.00 0.00 O ATOM 1695 CB THR A 108 -14.731 -18.441 8.221 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.930 -18.240 7.071 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.864 -19.366 7.835 1.00 0.00 C ATOM 0 H THR A 108 -13.211 -16.526 8.515 1.00 0.00 H new ATOM 0 HA THR A 108 -15.984 -16.696 8.139 1.00 0.00 H new ATOM 0 HB THR A 108 -14.160 -18.908 9.024 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.998 -18.105 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.456 -20.296 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.473 -19.581 8.713 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.480 -18.888 7.074 1.00 0.00 H new