USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 677 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Set 2.1: A 79 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.2) USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 55 CYS SG : rot 46:sc= 0.531 USER MOD Set 3.2: A 69 HIS :FLIP no HE2:sc= 0.015 F(o=-0.63,f=0.55) USER MOD Set 4.1: A 42 MET CE :methyl -118:sc= -1.98 (180deg=-0.0238) USER MOD Set 4.2: A 93 ASN : amide:sc= -3.89 K(o=-5.9,f=-6.8!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 33 GLN : amide:sc= 0.993 K(o=0.99,f=-0.0095) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.053 USER MOD Single : A 43 MET CE :methyl -175:sc= -1.49 (180deg=-1.54) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0282) USER MOD Single : A 53 ASN : amide:sc= 0.00122 X(o=0.0012,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.378! F(o=-1.4,f=-0.38!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 67 CYS SG : rot 60:sc= -1.93 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.169 F(o=-0.87,f=-0.17) USER MOD Single : A 76 ASN : amide:sc= -2.96! C(o=-3!,f=-17!) USER MOD Single : A 82 MET CE :methyl -171:sc= -0.0424 (180deg=-0.172) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= 0.00752 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.39 USER MOD Single : A 108 LYS NZ :NH3+ -130:sc= -1.53 (180deg=-2.26!) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.32 F(o=-3.7!,f=-1.3) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 4.711 -15.191 2.712 1.00 0.00 N ATOM 458 CA ASN A 29 4.644 -13.735 2.689 1.00 0.00 C ATOM 459 C ASN A 29 4.533 -13.218 1.258 1.00 0.00 C ATOM 460 O ASN A 29 5.448 -13.390 0.451 1.00 0.00 O ATOM 461 CB ASN A 29 5.880 -13.136 3.365 1.00 0.00 C ATOM 462 CG ASN A 29 5.852 -13.304 4.872 1.00 0.00 C ATOM 463 OD1 ASN A 29 5.415 -12.411 5.599 1.00 0.00 O ATOM 464 ND2 ASN A 29 6.321 -14.451 5.348 1.00 0.00 N ATOM 0 HA ASN A 29 3.753 -13.428 3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.776 -13.611 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.946 -12.076 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.329 -14.621 6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.673 -15.163 4.708 1.00 0.00 H new ATOM 471 N LEU A 30 3.408 -12.583 0.950 1.00 0.00 N ATOM 472 CA LEU A 30 3.176 -12.040 -0.384 1.00 0.00 C ATOM 473 C LEU A 30 3.021 -10.523 -0.335 1.00 0.00 C ATOM 474 O LEU A 30 2.441 -9.978 0.604 1.00 0.00 O ATOM 475 CB LEU A 30 1.928 -12.671 -1.004 1.00 0.00 C ATOM 476 CG LEU A 30 2.137 -14.007 -1.718 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.800 -14.614 -2.117 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.027 -13.827 -2.939 1.00 0.00 C ATOM 0 H LEU A 30 2.642 -12.431 1.606 1.00 0.00 H new ATOM 0 HA LEU A 30 4.042 -12.279 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.188 -12.814 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.503 -11.964 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 30 2.633 -14.691 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.969 -15.564 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.195 -14.780 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.277 -13.933 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.164 -14.788 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.559 -13.126 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.996 -13.437 -2.628 1.00 0.00 H new ATOM 490 N TYR A 31 3.542 -9.847 -1.353 1.00 0.00 N ATOM 491 CA TYR A 31 3.462 -8.393 -1.426 1.00 0.00 C ATOM 492 C TYR A 31 3.002 -7.942 -2.809 1.00 0.00 C ATOM 493 O TYR A 31 3.573 -8.337 -3.826 1.00 0.00 O ATOM 494 CB TYR A 31 4.820 -7.770 -1.099 1.00 0.00 C ATOM 495 CG TYR A 31 5.540 -8.450 0.043 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.895 -8.693 1.250 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.865 -8.850 -0.084 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.549 -9.314 2.297 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.526 -9.472 0.957 1.00 0.00 C ATOM 500 CZ TYR A 31 6.864 -9.702 2.145 1.00 0.00 C ATOM 501 OH TYR A 31 7.519 -10.321 3.185 1.00 0.00 O ATOM 0 H TYR A 31 4.024 -10.283 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 31 2.730 -8.057 -0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.450 -7.806 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.677 -6.718 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.865 -8.391 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.387 -8.671 -1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.034 -9.495 3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.556 -9.777 0.841 1.00 0.00 H new ATOM 0 HH TYR A 31 8.437 -10.531 2.915 1.00 0.00 H new ATOM 511 N PHE A 32 1.966 -7.110 -2.838 1.00 0.00 N ATOM 512 CA PHE A 32 1.427 -6.604 -4.095 1.00 0.00 C ATOM 513 C PHE A 32 1.345 -5.080 -4.076 1.00 0.00 C ATOM 514 O PHE A 32 1.563 -4.450 -3.043 1.00 0.00 O ATOM 515 CB PHE A 32 0.041 -7.198 -4.356 1.00 0.00 C ATOM 516 CG PHE A 32 -0.042 -8.671 -4.077 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.047 -9.144 -2.775 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.115 -9.584 -5.117 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.124 -10.499 -2.514 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.192 -10.940 -4.863 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.195 -11.398 -3.560 1.00 0.00 C ATOM 0 H PHE A 32 1.483 -6.772 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 32 2.100 -6.904 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.691 -6.678 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.233 -7.017 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.010 -8.445 -1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.112 -9.232 -6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.129 -10.854 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.250 -11.641 -5.683 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.253 -12.458 -3.359 1.00 0.00 H new ATOM 531 N GLN A 33 1.028 -4.497 -5.228 1.00 0.00 N ATOM 532 CA GLN A 33 0.919 -3.048 -5.345 1.00 0.00 C ATOM 533 C GLN A 33 -0.206 -2.662 -6.300 1.00 0.00 C ATOM 534 O GLN A 33 -0.400 -3.298 -7.335 1.00 0.00 O ATOM 535 CB GLN A 33 2.242 -2.452 -5.829 1.00 0.00 C ATOM 536 CG GLN A 33 3.387 -2.635 -4.847 1.00 0.00 C ATOM 537 CD GLN A 33 3.361 -1.616 -3.724 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.049 -0.596 -3.780 1.00 0.00 O ATOM 539 NE2 GLN A 33 2.565 -1.888 -2.696 1.00 0.00 N ATOM 0 H GLN A 33 0.842 -5.006 -6.092 1.00 0.00 H new ATOM 0 HA GLN A 33 0.688 -2.646 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.512 -2.913 -6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.104 -1.388 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.341 -3.638 -4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.334 -2.558 -5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.013 -2.745 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.506 -1.239 -1.911 1.00 0.00 H new ATOM 548 N GLY A 34 -0.945 -1.615 -5.945 1.00 0.00 N ATOM 549 CA GLY A 34 -2.042 -1.164 -6.781 1.00 0.00 C ATOM 550 C GLY A 34 -3.052 -0.334 -6.014 1.00 0.00 C ATOM 551 O GLY A 34 -4.193 -0.753 -5.823 1.00 0.00 O ATOM 0 H GLY A 34 -0.803 -1.071 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.646 -0.575 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.543 -2.029 -7.216 1.00 0.00 H new ATOM 555 N SER A 35 -2.631 0.847 -5.571 1.00 0.00 N ATOM 556 CA SER A 35 -3.506 1.736 -4.816 1.00 0.00 C ATOM 557 C SER A 35 -4.681 2.199 -5.672 1.00 0.00 C ATOM 558 O SER A 35 -4.512 2.550 -6.839 1.00 0.00 O ATOM 559 CB SER A 35 -2.722 2.947 -4.307 1.00 0.00 C ATOM 560 OG SER A 35 -2.164 3.681 -5.383 1.00 0.00 O ATOM 0 H SER A 35 -1.690 1.210 -5.722 1.00 0.00 H new ATOM 0 HA SER A 35 -3.897 1.181 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.380 3.592 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.928 2.615 -3.638 1.00 0.00 H new ATOM 0 HG SER A 35 -1.669 4.451 -5.032 1.00 0.00 H new ATOM 566 N SER A 36 -5.872 2.196 -5.082 1.00 0.00 N ATOM 567 CA SER A 36 -7.077 2.612 -5.791 1.00 0.00 C ATOM 568 C SER A 36 -7.580 3.954 -5.267 1.00 0.00 C ATOM 569 O SER A 36 -8.781 4.219 -5.258 1.00 0.00 O ATOM 570 CB SER A 36 -8.171 1.553 -5.646 1.00 0.00 C ATOM 571 OG SER A 36 -8.098 0.598 -6.691 1.00 0.00 O ATOM 0 H SER A 36 -6.029 1.910 -4.115 1.00 0.00 H new ATOM 0 HA SER A 36 -6.827 2.724 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.071 1.052 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.150 2.033 -5.655 1.00 0.00 H new ATOM 0 HG SER A 36 -8.807 -0.069 -6.575 1.00 0.00 H new ATOM 577 N GLY A 37 -6.650 4.798 -4.830 1.00 0.00 N ATOM 578 CA GLY A 37 -7.017 6.102 -4.310 1.00 0.00 C ATOM 579 C GLY A 37 -6.411 6.374 -2.947 1.00 0.00 C ATOM 580 O GLY A 37 -5.260 6.800 -2.846 1.00 0.00 O ATOM 0 H GLY A 37 -5.649 4.602 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.693 6.873 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.103 6.170 -4.242 1.00 0.00 H new ATOM 584 N SER A 38 -7.187 6.130 -1.896 1.00 0.00 N ATOM 585 CA SER A 38 -6.722 6.357 -0.533 1.00 0.00 C ATOM 586 C SER A 38 -6.577 5.037 0.218 1.00 0.00 C ATOM 587 O SER A 38 -7.280 4.067 -0.067 1.00 0.00 O ATOM 588 CB SER A 38 -7.690 7.277 0.212 1.00 0.00 C ATOM 589 OG SER A 38 -7.895 8.485 -0.500 1.00 0.00 O ATOM 0 H SER A 38 -8.141 5.775 -1.962 1.00 0.00 H new ATOM 0 HA SER A 38 -5.744 6.836 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.644 6.768 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.296 7.498 1.204 1.00 0.00 H new ATOM 0 HG SER A 38 -8.519 9.055 -0.004 1.00 0.00 H new ATOM 595 N SER A 39 -5.660 5.008 1.180 1.00 0.00 N ATOM 596 CA SER A 39 -5.419 3.807 1.971 1.00 0.00 C ATOM 597 C SER A 39 -6.710 3.316 2.620 1.00 0.00 C ATOM 598 O SER A 39 -6.878 2.123 2.869 1.00 0.00 O ATOM 599 CB SER A 39 -4.367 4.081 3.047 1.00 0.00 C ATOM 600 OG SER A 39 -3.365 4.962 2.567 1.00 0.00 O ATOM 0 H SER A 39 -5.072 5.803 1.430 1.00 0.00 H new ATOM 0 HA SER A 39 -5.050 3.030 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.845 4.513 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.911 3.142 3.361 1.00 0.00 H new ATOM 0 HG SER A 39 -2.705 5.123 3.274 1.00 0.00 H new ATOM 606 N GLY A 40 -7.620 4.247 2.892 1.00 0.00 N ATOM 607 CA GLY A 40 -8.884 3.891 3.510 1.00 0.00 C ATOM 608 C GLY A 40 -9.764 3.064 2.594 1.00 0.00 C ATOM 609 O GLY A 40 -10.295 2.030 2.999 1.00 0.00 O ATOM 0 H GLY A 40 -7.504 5.241 2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.692 3.333 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.414 4.800 3.795 1.00 0.00 H new ATOM 613 N ASP A 41 -9.921 3.521 1.356 1.00 0.00 N ATOM 614 CA ASP A 41 -10.745 2.816 0.380 1.00 0.00 C ATOM 615 C ASP A 41 -10.430 1.324 0.380 1.00 0.00 C ATOM 616 O ASP A 41 -11.332 0.490 0.311 1.00 0.00 O ATOM 617 CB ASP A 41 -10.524 3.397 -1.018 1.00 0.00 C ATOM 618 CG ASP A 41 -10.802 4.886 -1.077 1.00 0.00 C ATOM 619 OD1 ASP A 41 -11.954 5.285 -0.806 1.00 0.00 O ATOM 620 OD2 ASP A 41 -9.868 5.652 -1.395 1.00 0.00 O ATOM 0 H ASP A 41 -9.489 4.376 1.005 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.790 2.948 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.496 3.210 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.170 2.881 -1.729 1.00 0.00 H new ATOM 625 N MET A 42 -9.145 0.995 0.458 1.00 0.00 N ATOM 626 CA MET A 42 -8.712 -0.398 0.467 1.00 0.00 C ATOM 627 C MET A 42 -9.618 -1.243 1.356 1.00 0.00 C ATOM 628 O MET A 42 -10.269 -2.176 0.886 1.00 0.00 O ATOM 629 CB MET A 42 -7.264 -0.501 0.950 1.00 0.00 C ATOM 630 CG MET A 42 -6.241 -0.405 -0.171 1.00 0.00 C ATOM 631 SD MET A 42 -5.877 -2.005 -0.918 1.00 0.00 S ATOM 632 CE MET A 42 -5.883 -1.576 -2.657 1.00 0.00 C ATOM 0 H MET A 42 -8.385 1.673 0.516 1.00 0.00 H new ATOM 0 HA MET A 42 -8.775 -0.779 -0.552 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.074 0.292 1.673 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.130 -1.448 1.473 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.612 0.274 -0.939 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.320 0.027 0.219 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.672 -2.129 -3.166 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.061 -0.506 -2.767 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.919 -1.831 -3.098 1.00 0.00 H new ATOM 642 N MET A 43 -9.655 -0.910 2.642 1.00 0.00 N ATOM 643 CA MET A 43 -10.482 -1.639 3.596 1.00 0.00 C ATOM 644 C MET A 43 -11.792 -2.084 2.952 1.00 0.00 C ATOM 645 O MET A 43 -12.308 -3.160 3.252 1.00 0.00 O ATOM 646 CB MET A 43 -10.773 -0.769 4.821 1.00 0.00 C ATOM 647 CG MET A 43 -9.545 -0.059 5.367 1.00 0.00 C ATOM 648 SD MET A 43 -9.635 0.217 7.146 1.00 0.00 S ATOM 649 CE MET A 43 -9.325 -1.436 7.761 1.00 0.00 C ATOM 0 H MET A 43 -9.122 -0.140 3.047 1.00 0.00 H new ATOM 0 HA MET A 43 -9.932 -2.526 3.911 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.526 -0.026 4.558 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.201 -1.392 5.606 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.658 -0.650 5.139 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.429 0.899 4.860 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.436 -1.448 8.845 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.038 -2.130 7.316 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.312 -1.738 7.497 1.00 0.00 H new ATOM 659 N ARG A 44 -12.324 -1.248 2.066 1.00 0.00 N ATOM 660 CA ARG A 44 -13.573 -1.555 1.381 1.00 0.00 C ATOM 661 C ARG A 44 -13.311 -2.324 0.089 1.00 0.00 C ATOM 662 O ARG A 44 -13.755 -3.461 -0.068 1.00 0.00 O ATOM 663 CB ARG A 44 -14.341 -0.267 1.074 1.00 0.00 C ATOM 664 CG ARG A 44 -15.011 0.348 2.291 1.00 0.00 C ATOM 665 CD ARG A 44 -15.106 1.860 2.171 1.00 0.00 C ATOM 666 NE ARG A 44 -16.337 2.281 1.508 1.00 0.00 N ATOM 667 CZ ARG A 44 -16.889 3.478 1.672 1.00 0.00 C ATOM 668 NH1 ARG A 44 -16.321 4.369 2.473 1.00 0.00 N ATOM 669 NH2 ARG A 44 -18.011 3.786 1.034 1.00 0.00 N ATOM 0 H ARG A 44 -11.909 -0.353 1.806 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.175 -2.181 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.655 0.461 0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.099 -0.477 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.010 -0.072 2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.448 0.088 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.059 2.306 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.248 2.234 1.613 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.799 1.619 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.458 4.136 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.747 5.288 2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.451 3.103 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.434 4.706 1.161 1.00 0.00 H new ATOM 683 N GLU A 45 -12.587 -1.694 -0.831 1.00 0.00 N ATOM 684 CA GLU A 45 -12.268 -2.320 -2.109 1.00 0.00 C ATOM 685 C GLU A 45 -11.935 -3.797 -1.924 1.00 0.00 C ATOM 686 O GLU A 45 -12.268 -4.630 -2.767 1.00 0.00 O ATOM 687 CB GLU A 45 -11.092 -1.600 -2.774 1.00 0.00 C ATOM 688 CG GLU A 45 -11.100 -1.695 -4.291 1.00 0.00 C ATOM 689 CD GLU A 45 -11.967 -0.633 -4.938 1.00 0.00 C ATOM 690 OE1 GLU A 45 -11.459 0.481 -5.181 1.00 0.00 O ATOM 691 OE2 GLU A 45 -13.155 -0.917 -5.201 1.00 0.00 O ATOM 0 H GLU A 45 -12.211 -0.753 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.145 -2.241 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.109 -0.549 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.159 -2.020 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.080 -1.601 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.458 -2.681 -4.588 1.00 0.00 H new ATOM 698 N ILE A 46 -11.275 -4.114 -0.815 1.00 0.00 N ATOM 699 CA ILE A 46 -10.898 -5.491 -0.518 1.00 0.00 C ATOM 700 C ILE A 46 -12.129 -6.373 -0.342 1.00 0.00 C ATOM 701 O ILE A 46 -12.391 -7.259 -1.156 1.00 0.00 O ATOM 702 CB ILE A 46 -10.033 -5.575 0.754 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.703 -4.850 0.542 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.796 -7.028 1.137 1.00 0.00 C ATOM 705 CD1 ILE A 46 -8.018 -4.454 1.831 1.00 0.00 C ATOM 0 H ILE A 46 -10.990 -3.437 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.317 -5.850 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.565 -5.086 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.036 -5.493 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.877 -3.956 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.183 -7.072 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.753 -7.515 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.282 -7.540 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.081 -3.945 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.667 -3.785 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.812 -5.346 2.422 1.00 0.00 H new ATOM 717 N ARG A 47 -12.882 -6.123 0.724 1.00 0.00 N ATOM 718 CA ARG A 47 -14.086 -6.894 1.006 1.00 0.00 C ATOM 719 C ARG A 47 -14.788 -7.299 -0.286 1.00 0.00 C ATOM 720 O ARG A 47 -15.302 -8.412 -0.405 1.00 0.00 O ATOM 721 CB ARG A 47 -15.041 -6.084 1.886 1.00 0.00 C ATOM 722 CG ARG A 47 -14.498 -5.804 3.277 1.00 0.00 C ATOM 723 CD ARG A 47 -15.179 -4.600 3.909 1.00 0.00 C ATOM 724 NE ARG A 47 -15.008 -4.572 5.359 1.00 0.00 N ATOM 725 CZ ARG A 47 -15.075 -3.463 6.086 1.00 0.00 C ATOM 726 NH1 ARG A 47 -15.309 -2.296 5.501 1.00 0.00 N ATOM 727 NH2 ARG A 47 -14.909 -3.519 7.401 1.00 0.00 N ATOM 0 H ARG A 47 -12.679 -5.392 1.406 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.791 -7.799 1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.260 -5.137 1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.984 -6.623 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.645 -6.680 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.424 -5.628 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.771 -3.686 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.242 -4.618 3.670 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.827 -5.453 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.438 -2.249 4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.360 -1.446 6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.730 -4.415 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.961 -2.666 7.958 1.00 0.00 H new ATOM 741 N LYS A 48 -14.807 -6.388 -1.254 1.00 0.00 N ATOM 742 CA LYS A 48 -15.444 -6.649 -2.539 1.00 0.00 C ATOM 743 C LYS A 48 -15.079 -8.037 -3.056 1.00 0.00 C ATOM 744 O LYS A 48 -15.953 -8.836 -3.390 1.00 0.00 O ATOM 745 CB LYS A 48 -15.032 -5.588 -3.561 1.00 0.00 C ATOM 746 CG LYS A 48 -15.835 -5.639 -4.849 1.00 0.00 C ATOM 747 CD LYS A 48 -15.196 -6.567 -5.869 1.00 0.00 C ATOM 748 CE LYS A 48 -14.029 -5.896 -6.577 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.489 -4.915 -7.598 1.00 0.00 N ATOM 0 H LYS A 48 -14.388 -5.462 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.524 -6.606 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.143 -4.601 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.975 -5.714 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.849 -5.977 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.915 -4.636 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.849 -7.473 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.942 -6.872 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.402 -5.389 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.410 -6.655 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.676 -4.593 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.187 -5.366 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.926 -4.099 -7.124 1.00 0.00 H new ATOM 763 N VAL A 49 -13.781 -8.318 -3.118 1.00 0.00 N ATOM 764 CA VAL A 49 -13.300 -9.610 -3.591 1.00 0.00 C ATOM 765 C VAL A 49 -13.711 -10.731 -2.643 1.00 0.00 C ATOM 766 O VAL A 49 -14.134 -11.803 -3.077 1.00 0.00 O ATOM 767 CB VAL A 49 -11.767 -9.618 -3.743 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.309 -10.867 -4.480 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.297 -8.362 -4.462 1.00 0.00 C ATOM 0 H VAL A 49 -13.044 -7.668 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.755 -9.778 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.321 -9.629 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.223 -10.854 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.613 -11.752 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.762 -10.891 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.212 -8.384 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.751 -8.318 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.591 -7.483 -3.889 1.00 0.00 H new ATOM 779 N LEU A 50 -13.585 -10.476 -1.345 1.00 0.00 N ATOM 780 CA LEU A 50 -13.944 -11.463 -0.333 1.00 0.00 C ATOM 781 C LEU A 50 -15.385 -11.929 -0.514 1.00 0.00 C ATOM 782 O LEU A 50 -15.643 -13.112 -0.736 1.00 0.00 O ATOM 783 CB LEU A 50 -13.758 -10.877 1.068 1.00 0.00 C ATOM 784 CG LEU A 50 -12.398 -10.241 1.354 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.411 -9.534 2.701 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.298 -11.292 1.312 1.00 0.00 C ATOM 0 H LEU A 50 -13.237 -9.594 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.286 -12.324 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.530 -10.125 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.927 -11.670 1.797 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.195 -9.500 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.434 -9.087 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.172 -8.753 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.637 -10.254 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.337 -10.821 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.496 -12.056 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.272 -11.753 0.324 1.00 0.00 H new ATOM 798 N GLY A 51 -16.322 -10.990 -0.420 1.00 0.00 N ATOM 799 CA GLY A 51 -17.726 -11.324 -0.579 1.00 0.00 C ATOM 800 C GLY A 51 -17.998 -12.094 -1.856 1.00 0.00 C ATOM 801 O GLY A 51 -18.832 -12.998 -1.877 1.00 0.00 O ATOM 0 H GLY A 51 -16.134 -10.004 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.054 -11.916 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.317 -10.408 -0.578 1.00 0.00 H new ATOM 805 N ALA A 52 -17.293 -11.734 -2.923 1.00 0.00 N ATOM 806 CA ALA A 52 -17.463 -12.397 -4.210 1.00 0.00 C ATOM 807 C ALA A 52 -17.093 -13.874 -4.120 1.00 0.00 C ATOM 808 O ALA A 52 -17.778 -14.730 -4.676 1.00 0.00 O ATOM 809 CB ALA A 52 -16.626 -11.705 -5.275 1.00 0.00 C ATOM 0 H ALA A 52 -16.599 -10.987 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.514 -12.329 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.763 -12.211 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.941 -10.665 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.574 -11.742 -4.992 1.00 0.00 H new ATOM 815 N ASN A 53 -16.003 -14.163 -3.415 1.00 0.00 N ATOM 816 CA ASN A 53 -15.541 -15.537 -3.253 1.00 0.00 C ATOM 817 C ASN A 53 -16.075 -16.142 -1.959 1.00 0.00 C ATOM 818 O ASN A 53 -15.375 -16.886 -1.274 1.00 0.00 O ATOM 819 CB ASN A 53 -14.012 -15.586 -3.259 1.00 0.00 C ATOM 820 CG ASN A 53 -13.441 -15.659 -4.663 1.00 0.00 C ATOM 821 OD1 ASN A 53 -13.003 -16.718 -5.113 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.444 -14.530 -5.361 1.00 0.00 N ATOM 0 H ASN A 53 -15.424 -13.465 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.921 -16.123 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.621 -14.701 -2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.677 -16.452 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.073 -14.517 -6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.817 -13.676 -4.947 1.00 0.00 H new ATOM 829 N ASN A 54 -17.322 -15.817 -1.630 1.00 0.00 N ATOM 830 CA ASN A 54 -17.951 -16.328 -0.418 1.00 0.00 C ATOM 831 C ASN A 54 -16.970 -16.315 0.751 1.00 0.00 C ATOM 832 O ASN A 54 -16.931 -17.249 1.553 1.00 0.00 O ATOM 833 CB ASN A 54 -18.468 -17.750 -0.647 1.00 0.00 C ATOM 834 CG ASN A 54 -19.363 -18.228 0.480 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.672 -18.153 0.269 1.00 0.00 O flip ATOM 836 ND2 ASN A 54 -18.882 -18.661 1.528 1.00 0.00 N flip ATOM 0 H ASN A 54 -17.916 -15.202 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.791 -15.678 -0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.020 -17.786 -1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.622 -18.429 -0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.870 -18.700 1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.496 -18.980 2.277 1.00 0.00 H new ATOM 843 N CYS A 55 -16.181 -15.250 0.841 1.00 0.00 N ATOM 844 CA CYS A 55 -15.200 -15.114 1.912 1.00 0.00 C ATOM 845 C CYS A 55 -15.701 -14.161 2.992 1.00 0.00 C ATOM 846 O CYS A 55 -16.512 -13.274 2.723 1.00 0.00 O ATOM 847 CB CYS A 55 -13.868 -14.613 1.351 1.00 0.00 C ATOM 848 SG CYS A 55 -12.949 -15.854 0.410 1.00 0.00 S ATOM 0 H CYS A 55 -16.201 -14.469 0.186 1.00 0.00 H new ATOM 0 HA CYS A 55 -15.051 -16.096 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -14.057 -13.753 0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.247 -14.265 2.176 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.756 -16.465 -0.406 1.00 0.00 H new ATOM 854 N ASP A 56 -15.216 -14.351 4.213 1.00 0.00 N ATOM 855 CA ASP A 56 -15.616 -13.508 5.335 1.00 0.00 C ATOM 856 C ASP A 56 -14.446 -12.658 5.819 1.00 0.00 C ATOM 857 O ASP A 56 -13.284 -13.030 5.653 1.00 0.00 O ATOM 858 CB ASP A 56 -16.147 -14.368 6.482 1.00 0.00 C ATOM 859 CG ASP A 56 -17.368 -15.175 6.084 1.00 0.00 C ATOM 860 OD1 ASP A 56 -18.260 -14.611 5.416 1.00 0.00 O ATOM 861 OD2 ASP A 56 -17.430 -16.370 6.440 1.00 0.00 O ATOM 0 H ASP A 56 -14.545 -15.081 4.452 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.409 -12.842 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.362 -15.045 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.399 -13.727 7.327 1.00 0.00 H new ATOM 866 N TYR A 57 -14.760 -11.515 6.419 1.00 0.00 N ATOM 867 CA TYR A 57 -13.735 -10.610 6.924 1.00 0.00 C ATOM 868 C TYR A 57 -14.116 -10.070 8.299 1.00 0.00 C ATOM 869 O TYR A 57 -15.274 -9.739 8.549 1.00 0.00 O ATOM 870 CB TYR A 57 -13.523 -9.451 5.950 1.00 0.00 C ATOM 871 CG TYR A 57 -14.807 -8.910 5.362 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.439 -9.560 4.309 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.388 -7.751 5.861 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.612 -9.069 3.769 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.562 -7.254 5.328 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.170 -7.916 4.282 1.00 0.00 C ATOM 877 OH TYR A 57 -18.339 -7.425 3.747 1.00 0.00 O ATOM 0 H TYR A 57 -15.717 -11.193 6.567 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.805 -11.171 7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.002 -8.645 6.466 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.874 -9.783 5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.006 -10.464 3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.914 -7.230 6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.090 -9.585 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -17.001 -6.352 5.728 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.598 -6.608 4.222 1.00 0.00 H new ATOM 887 N GLU A 58 -13.130 -9.983 9.188 1.00 0.00 N ATOM 888 CA GLU A 58 -13.361 -9.483 10.538 1.00 0.00 C ATOM 889 C GLU A 58 -12.386 -8.360 10.877 1.00 0.00 C ATOM 890 O GLU A 58 -11.208 -8.606 11.137 1.00 0.00 O ATOM 891 CB GLU A 58 -13.224 -10.617 11.556 1.00 0.00 C ATOM 892 CG GLU A 58 -13.229 -10.143 12.999 1.00 0.00 C ATOM 893 CD GLU A 58 -14.574 -9.590 13.427 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.437 -10.388 13.849 1.00 0.00 O ATOM 895 OE2 GLU A 58 -14.765 -8.359 13.340 1.00 0.00 O ATOM 0 H GLU A 58 -12.165 -10.252 8.997 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.375 -9.085 10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.041 -11.324 11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.297 -11.157 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.958 -10.973 13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.467 -9.374 13.128 1.00 0.00 H new ATOM 902 N GLN A 59 -12.885 -7.128 10.870 1.00 0.00 N ATOM 903 CA GLN A 59 -12.057 -5.968 11.176 1.00 0.00 C ATOM 904 C GLN A 59 -11.614 -5.984 12.635 1.00 0.00 C ATOM 905 O GLN A 59 -12.442 -6.007 13.545 1.00 0.00 O ATOM 906 CB GLN A 59 -12.821 -4.677 10.877 1.00 0.00 C ATOM 907 CG GLN A 59 -11.925 -3.520 10.468 1.00 0.00 C ATOM 908 CD GLN A 59 -12.494 -2.172 10.864 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.699 -1.939 10.762 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.628 -1.274 11.321 1.00 0.00 N ATOM 0 H GLN A 59 -13.858 -6.908 10.656 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.169 -6.011 10.546 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.541 -4.867 10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.391 -4.389 11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.944 -3.645 10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.777 -3.544 9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.638 -1.509 11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.953 -0.350 11.604 1.00 0.00 H new ATOM 919 N ARG A 60 -10.302 -5.972 12.850 1.00 0.00 N ATOM 920 CA ARG A 60 -9.749 -5.987 14.199 1.00 0.00 C ATOM 921 C ARG A 60 -9.239 -4.604 14.593 1.00 0.00 C ATOM 922 O ARG A 60 -9.700 -4.018 15.572 1.00 0.00 O ATOM 923 CB ARG A 60 -8.613 -7.007 14.296 1.00 0.00 C ATOM 924 CG ARG A 60 -9.047 -8.432 13.992 1.00 0.00 C ATOM 925 CD ARG A 60 -9.788 -9.051 15.167 1.00 0.00 C ATOM 926 NE ARG A 60 -11.211 -8.724 15.151 1.00 0.00 N ATOM 927 CZ ARG A 60 -12.132 -9.415 15.813 1.00 0.00 C ATOM 928 NH1 ARG A 60 -11.780 -10.465 16.542 1.00 0.00 N ATOM 929 NH2 ARG A 60 -13.407 -9.055 15.749 1.00 0.00 N ATOM 0 H ARG A 60 -9.603 -5.952 12.108 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.545 -6.272 14.887 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.820 -6.722 13.604 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.189 -6.972 15.299 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.689 -8.438 13.111 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.172 -9.037 13.753 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.665 -10.134 15.143 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.346 -8.700 16.100 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.515 -7.920 14.601 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.800 -10.744 16.595 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.489 -10.994 17.050 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.681 -8.247 15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.113 -9.587 16.258 1.00 0.00 H new ATOM 943 N GLU A 61 -8.286 -4.088 13.823 1.00 0.00 N ATOM 944 CA GLU A 61 -7.714 -2.775 14.093 1.00 0.00 C ATOM 945 C GLU A 61 -8.305 -1.721 13.160 1.00 0.00 C ATOM 946 O GLU A 61 -9.212 -2.008 12.379 1.00 0.00 O ATOM 947 CB GLU A 61 -6.192 -2.815 13.936 1.00 0.00 C ATOM 948 CG GLU A 61 -5.484 -3.554 15.059 1.00 0.00 C ATOM 949 CD GLU A 61 -5.332 -2.708 16.309 1.00 0.00 C ATOM 950 OE1 GLU A 61 -4.423 -1.852 16.339 1.00 0.00 O ATOM 951 OE2 GLU A 61 -6.122 -2.903 17.256 1.00 0.00 O ATOM 0 H GLU A 61 -7.894 -4.559 13.008 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.959 -2.505 15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.945 -3.291 12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.813 -1.794 13.889 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.042 -4.458 15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.499 -3.870 14.716 1.00 0.00 H new ATOM 958 N ARG A 62 -7.784 -0.502 13.249 1.00 0.00 N ATOM 959 CA ARG A 62 -8.260 0.595 12.415 1.00 0.00 C ATOM 960 C ARG A 62 -7.995 0.311 10.939 1.00 0.00 C ATOM 961 O ARG A 62 -8.903 0.374 10.111 1.00 0.00 O ATOM 962 CB ARG A 62 -7.584 1.905 12.823 1.00 0.00 C ATOM 963 CG ARG A 62 -7.765 3.025 11.811 1.00 0.00 C ATOM 964 CD ARG A 62 -7.701 4.391 12.475 1.00 0.00 C ATOM 965 NE ARG A 62 -6.342 4.926 12.498 1.00 0.00 N ATOM 966 CZ ARG A 62 -5.454 4.634 13.442 1.00 0.00 C ATOM 967 NH1 ARG A 62 -5.780 3.817 14.434 1.00 0.00 N ATOM 968 NH2 ARG A 62 -4.237 5.160 13.394 1.00 0.00 N ATOM 0 H ARG A 62 -7.032 -0.249 13.890 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.336 0.689 12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.985 2.227 13.784 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.519 1.725 12.966 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.992 2.954 11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.724 2.909 11.306 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.354 5.083 11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.078 4.316 13.495 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.060 5.558 11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.715 3.411 14.474 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.096 3.595 15.157 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.983 5.789 12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.555 4.936 14.119 1.00 0.00 H new ATOM 982 N PHE A 63 -6.743 -0.001 10.618 1.00 0.00 N ATOM 983 CA PHE A 63 -6.357 -0.294 9.243 1.00 0.00 C ATOM 984 C PHE A 63 -5.990 -1.766 9.082 1.00 0.00 C ATOM 985 O PHE A 63 -4.995 -2.103 8.438 1.00 0.00 O ATOM 986 CB PHE A 63 -5.178 0.587 8.824 1.00 0.00 C ATOM 987 CG PHE A 63 -5.557 2.019 8.578 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.368 2.361 7.508 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.103 3.024 9.417 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.718 3.679 7.279 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.449 4.343 9.193 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.259 4.671 8.123 1.00 0.00 C ATOM 0 H PHE A 63 -5.979 -0.057 11.292 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.210 -0.079 8.599 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.414 0.550 9.600 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.732 0.177 7.918 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.731 1.589 6.845 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.471 2.773 10.256 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.350 3.932 6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.087 5.117 9.854 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.533 5.701 7.947 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.798 -2.639 9.672 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.559 -4.076 9.596 1.00 0.00 C ATOM 1004 C LEU A 64 -7.859 -4.831 9.334 1.00 0.00 C ATOM 1005 O LEU A 64 -8.940 -4.374 9.706 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.918 -4.576 10.891 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.265 -5.957 10.828 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -3.844 -5.852 10.294 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.274 -6.615 12.200 1.00 0.00 C ATOM 0 H LEU A 64 -7.625 -2.377 10.209 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.878 -4.262 8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.163 -3.853 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.682 -4.593 11.668 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.843 -6.580 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.395 -6.845 10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.863 -5.424 9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.255 -5.212 10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.805 -7.597 12.136 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.721 -5.994 12.905 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.302 -6.726 12.544 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.745 -5.990 8.695 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.910 -6.811 8.386 1.00 0.00 C ATOM 1023 C LEU A 65 -8.535 -8.287 8.321 1.00 0.00 C ATOM 1024 O LEU A 65 -7.628 -8.676 7.584 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.530 -6.371 7.058 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.534 -5.220 7.134 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.666 -4.537 5.782 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.887 -5.723 7.615 1.00 0.00 C ATOM 0 H LEU A 65 -6.857 -6.382 8.381 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.640 -6.676 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.725 -6.080 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.027 -7.231 6.610 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.165 -4.488 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.385 -3.721 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.697 -4.141 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.011 -5.259 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.589 -4.890 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.263 -6.475 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.780 -6.165 8.606 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.239 -9.107 9.095 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.980 -10.541 9.124 1.00 0.00 C ATOM 1042 C PHE A 66 -9.706 -11.249 7.984 1.00 0.00 C ATOM 1043 O PHE A 66 -10.909 -11.504 8.063 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.417 -11.132 10.467 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.902 -12.523 10.705 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -9.300 -13.572 9.892 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -8.020 -12.781 11.743 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.828 -14.853 10.109 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.545 -14.060 11.964 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.950 -15.097 11.146 1.00 0.00 C ATOM 0 H PHE A 66 -9.993 -8.802 9.710 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.908 -10.694 8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.071 -10.482 11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.506 -11.143 10.513 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.987 -13.387 9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.701 -11.974 12.386 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.146 -15.662 9.468 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.858 -14.249 12.776 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.580 -16.097 11.318 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.969 -11.561 6.925 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.542 -12.238 5.766 1.00 0.00 C ATOM 1062 C CYS A 67 -9.492 -13.752 5.941 1.00 0.00 C ATOM 1063 O CYS A 67 -8.510 -14.297 6.445 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.797 -11.834 4.493 1.00 0.00 C ATOM 1065 SG CYS A 67 -9.200 -10.176 3.896 1.00 0.00 S ATOM 0 H CYS A 67 -7.973 -11.356 6.844 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.585 -11.935 5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.725 -11.891 4.679 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.023 -12.556 3.708 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.901 -9.301 4.810 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.558 -14.426 5.523 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.637 -15.878 5.634 1.00 0.00 C ATOM 1073 C VAL A 68 -11.439 -16.475 4.483 1.00 0.00 C ATOM 1074 O VAL A 68 -12.515 -15.982 4.142 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.277 -16.305 6.968 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.721 -15.834 7.042 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -11.191 -17.814 7.141 1.00 0.00 C ATOM 0 H VAL A 68 -11.379 -13.990 5.104 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.615 -16.254 5.593 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.725 -15.836 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.157 -16.145 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.754 -14.747 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.289 -16.272 6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.648 -18.098 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.718 -18.305 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.145 -18.122 7.136 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.910 -17.539 3.888 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.578 -18.204 2.776 1.00 0.00 C ATOM 1089 C HIS A 69 -12.077 -19.585 3.189 1.00 0.00 C ATOM 1090 O HIS A 69 -11.432 -20.280 3.974 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.628 -18.328 1.584 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.152 -19.206 0.489 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -12.297 -19.136 -0.229 1.00 0.00 N flip ATOM 1094 CD2 HIS A 69 -10.474 -20.311 0.021 1.00 0.00 C flip ATOM 1095 CE1 HIS A 69 -12.290 -20.190 -1.110 1.00 0.00 C flip ATOM 1096 NE2 HIS A 69 -11.178 -20.883 -0.940 1.00 0.00 N flip ATOM 0 H HIS A 69 -10.020 -17.959 4.158 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.437 -17.599 2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.433 -17.334 1.180 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.673 -18.724 1.930 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -13.029 -18.432 -0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.517 -20.656 0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -13.067 -20.416 -1.825 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.230 -19.977 2.656 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.796 -21.273 2.982 1.00 0.00 C ATOM 1107 C GLY A 70 -14.472 -21.926 1.793 1.00 0.00 C ATOM 1108 O GLY A 70 -15.074 -21.246 0.961 1.00 0.00 O ATOM 0 H GLY A 70 -13.782 -19.420 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.007 -21.928 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.519 -21.157 3.789 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.372 -23.248 1.710 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.979 -23.994 0.614 1.00 0.00 C ATOM 1114 C ASP A 71 -15.776 -25.183 1.140 1.00 0.00 C ATOM 1115 O ASP A 71 -16.935 -25.376 0.776 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.902 -24.476 -0.360 1.00 0.00 C ATOM 1117 CG ASP A 71 -14.446 -25.447 -1.390 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -15.638 -25.330 -1.745 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -13.680 -26.323 -1.842 1.00 0.00 O ATOM 0 H ASP A 71 -13.876 -23.825 2.389 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.662 -23.327 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.466 -23.617 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.099 -24.956 0.199 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.145 -25.978 1.999 1.00 0.00 N ATOM 1125 CA GLY A 72 -15.810 -27.139 2.561 1.00 0.00 C ATOM 1126 C GLY A 72 -15.155 -27.620 3.840 1.00 0.00 C ATOM 1127 O GLY A 72 -15.838 -28.005 4.790 1.00 0.00 O ATOM 0 H GLY A 72 -14.185 -25.839 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.853 -26.895 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.806 -27.946 1.829 1.00 0.00 H new ATOM 1131 N HIS A 73 -13.826 -27.601 3.866 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.077 -28.040 5.038 1.00 0.00 C ATOM 1133 C HIS A 73 -11.785 -27.244 5.187 1.00 0.00 C ATOM 1134 O HIS A 73 -11.391 -26.506 4.284 1.00 0.00 O ATOM 1135 CB HIS A 73 -12.761 -29.533 4.938 1.00 0.00 C ATOM 1136 CG HIS A 73 -13.815 -30.410 5.541 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -15.071 -30.699 5.126 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -13.632 -31.108 6.716 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -15.617 -31.558 6.047 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -14.728 -31.790 6.996 1.00 0.00 N flip ATOM 0 H HIS A 73 -13.246 -27.286 3.089 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.694 -27.865 5.919 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.635 -29.800 3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.810 -29.729 5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -12.733 -31.099 7.314 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.612 -31.976 6.003 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -14.865 -32.393 7.807 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.130 -27.397 6.334 1.00 0.00 N ATOM 1150 CA ALA A 74 -9.881 -26.693 6.600 1.00 0.00 C ATOM 1151 C ALA A 74 -8.936 -26.781 5.407 1.00 0.00 C ATOM 1152 O ALA A 74 -8.355 -25.779 4.990 1.00 0.00 O ATOM 1153 CB ALA A 74 -9.214 -27.255 7.847 1.00 0.00 C ATOM 0 H ALA A 74 -11.443 -28.002 7.093 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.114 -25.642 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.283 -26.720 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.880 -27.134 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.001 -28.314 7.700 1.00 0.00 H new ATOM 1159 N GLU A 75 -8.787 -27.985 4.863 1.00 0.00 N ATOM 1160 CA GLU A 75 -7.910 -28.202 3.718 1.00 0.00 C ATOM 1161 C GLU A 75 -7.944 -27.004 2.772 1.00 0.00 C ATOM 1162 O GLU A 75 -6.902 -26.488 2.371 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.320 -29.470 2.967 1.00 0.00 C ATOM 1164 CG GLU A 75 -7.957 -30.753 3.697 1.00 0.00 C ATOM 1165 CD GLU A 75 -8.499 -31.990 3.006 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -9.678 -31.971 2.596 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -7.744 -32.975 2.875 1.00 0.00 O ATOM 0 H GLU A 75 -9.262 -28.824 5.196 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.892 -28.321 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.397 -29.450 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.843 -29.472 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.872 -30.829 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.345 -30.710 4.715 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.149 -26.569 2.421 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.320 -25.434 1.521 1.00 0.00 C ATOM 1176 C ASN A 76 -9.369 -24.124 2.302 1.00 0.00 C ATOM 1177 O ASN A 76 -9.004 -23.067 1.786 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.598 -25.598 0.696 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.670 -26.372 1.439 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.423 -25.806 2.231 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -11.743 -27.673 1.184 1.00 0.00 N ATOM 0 H ASN A 76 -10.022 -26.985 2.746 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.463 -25.403 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.983 -24.614 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.362 -26.112 -0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.445 -28.246 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.097 -28.099 0.519 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.823 -24.202 3.548 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.920 -23.023 4.402 1.00 0.00 C ATOM 1190 C LEU A 77 -8.545 -22.408 4.640 1.00 0.00 C ATOM 1191 O LEU A 77 -7.559 -23.121 4.827 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.567 -23.389 5.739 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.326 -22.266 6.447 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.783 -22.250 6.013 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -11.219 -22.420 7.958 1.00 0.00 C ATOM 0 H LEU A 77 -10.130 -25.069 3.989 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.543 -22.287 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.256 -24.217 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.788 -23.753 6.409 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.874 -21.315 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.307 -21.444 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.840 -22.091 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.248 -23.203 6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.765 -21.612 8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.644 -23.378 8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.171 -22.380 8.254 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.487 -21.080 4.635 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.233 -20.369 4.854 1.00 0.00 C ATOM 1209 C VAL A 78 -7.472 -19.034 5.550 1.00 0.00 C ATOM 1210 O VAL A 78 -8.235 -18.199 5.065 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.491 -20.118 3.527 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.259 -19.256 3.759 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.113 -21.436 2.871 1.00 0.00 C ATOM 0 H VAL A 78 -9.294 -20.475 4.482 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.617 -21.003 5.492 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.159 -19.581 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.748 -19.089 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.560 -18.298 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.585 -19.763 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.590 -21.240 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.463 -22.001 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.015 -22.013 2.668 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.816 -18.841 6.689 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.958 -17.607 7.453 1.00 0.00 C ATOM 1225 C GLN A 79 -5.727 -16.722 7.291 1.00 0.00 C ATOM 1226 O GLN A 79 -4.597 -17.175 7.473 1.00 0.00 O ATOM 1227 CB GLN A 79 -7.184 -17.921 8.933 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.507 -18.615 9.212 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.467 -19.466 10.466 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.802 -19.120 11.444 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -9.180 -20.586 10.445 1.00 0.00 N ATOM 0 H GLN A 79 -6.181 -19.523 7.104 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.824 -17.068 7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.370 -18.551 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.143 -16.993 9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.292 -17.865 9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.771 -19.242 8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.716 -20.834 9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.191 -21.199 11.260 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.953 -15.459 6.949 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.861 -14.510 6.762 1.00 0.00 C ATOM 1242 C TRP A 80 -5.316 -13.088 7.072 1.00 0.00 C ATOM 1243 O TRP A 80 -6.435 -12.699 6.737 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.330 -14.588 5.330 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.228 -13.930 4.327 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.145 -12.645 3.872 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.345 -14.524 3.656 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.144 -12.404 2.959 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.892 -13.542 2.808 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.934 -15.791 3.688 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.001 -13.788 2.002 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.034 -16.034 2.888 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.558 -15.037 2.054 1.00 0.00 C ATOM 0 H TRP A 80 -6.882 -15.068 6.795 1.00 0.00 H new ATOM 0 HA TRP A 80 -4.061 -14.774 7.454 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.347 -14.120 5.289 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.197 -15.635 5.056 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.404 -11.924 4.184 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.303 -11.521 2.473 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.537 -16.566 4.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.407 -13.021 1.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.498 -17.009 2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.418 -15.259 1.440 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.443 -12.318 7.713 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.757 -10.939 8.068 1.00 0.00 C ATOM 1266 C GLU A 81 -4.268 -9.975 6.991 1.00 0.00 C ATOM 1267 O GLU A 81 -3.072 -9.898 6.710 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.128 -10.579 9.415 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.749 -11.312 10.593 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.379 -10.692 11.926 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -4.632 -9.483 12.108 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -3.836 -11.416 12.787 1.00 0.00 O ATOM 0 H GLU A 81 -3.513 -12.625 7.997 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.840 -10.849 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.062 -10.803 9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.223 -9.505 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.834 -11.312 10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.427 -12.353 10.579 1.00 0.00 H new ATOM 1279 N MET A 82 -5.201 -9.242 6.393 1.00 0.00 N ATOM 1280 CA MET A 82 -4.865 -8.282 5.348 1.00 0.00 C ATOM 1281 C MET A 82 -4.585 -6.906 5.943 1.00 0.00 C ATOM 1282 O MET A 82 -5.509 -6.174 6.297 1.00 0.00 O ATOM 1283 CB MET A 82 -6.000 -8.188 4.327 1.00 0.00 C ATOM 1284 CG MET A 82 -5.869 -9.175 3.179 1.00 0.00 C ATOM 1285 SD MET A 82 -4.727 -8.608 1.903 1.00 0.00 S ATOM 1286 CE MET A 82 -5.871 -7.935 0.700 1.00 0.00 C ATOM 0 H MET A 82 -6.195 -9.294 6.614 1.00 0.00 H new ATOM 0 HA MET A 82 -3.963 -8.631 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.949 -8.358 4.835 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.031 -7.176 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.527 -10.134 3.567 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.850 -9.342 2.735 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.333 -7.690 -0.216 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.644 -8.672 0.481 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.332 -7.033 1.102 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.306 -6.561 6.050 1.00 0.00 N ATOM 1297 CA GLU A 83 -2.906 -5.272 6.603 1.00 0.00 C ATOM 1298 C GLU A 83 -2.554 -4.288 5.492 1.00 0.00 C ATOM 1299 O GLU A 83 -1.973 -4.666 4.474 1.00 0.00 O ATOM 1300 CB GLU A 83 -1.713 -5.444 7.545 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.195 -4.136 8.117 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.283 -4.341 9.311 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.706 -5.017 10.271 1.00 0.00 O ATOM 1304 OE2 GLU A 83 0.855 -3.826 9.284 1.00 0.00 O ATOM 0 H GLU A 83 -2.529 -7.156 5.761 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.749 -4.870 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.001 -6.101 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.905 -5.941 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.655 -3.593 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.040 -3.513 8.412 1.00 0.00 H new ATOM 1311 N VAL A 84 -2.910 -3.023 5.694 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.631 -1.984 4.710 1.00 0.00 C ATOM 1313 C VAL A 84 -1.532 -1.047 5.197 1.00 0.00 C ATOM 1314 O VAL A 84 -1.794 -0.098 5.937 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.892 -1.158 4.393 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.594 -0.115 3.327 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.029 -2.069 3.956 1.00 0.00 C ATOM 0 H VAL A 84 -3.392 -2.693 6.530 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.299 -2.488 3.803 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.201 -0.637 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.497 0.458 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.813 0.556 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.259 -0.611 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.912 -1.469 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.732 -2.619 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.259 -2.773 4.756 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.301 -1.318 4.777 1.00 0.00 N ATOM 1328 CA CYS A 85 0.839 -0.499 5.171 1.00 0.00 C ATOM 1329 C CYS A 85 0.576 0.975 4.881 1.00 0.00 C ATOM 1330 O CYS A 85 -0.455 1.332 4.309 1.00 0.00 O ATOM 1331 CB CYS A 85 2.101 -0.958 4.439 1.00 0.00 C ATOM 1332 SG CYS A 85 3.631 -0.690 5.365 1.00 0.00 S ATOM 0 H CYS A 85 -0.067 -2.099 4.164 1.00 0.00 H new ATOM 0 HA CYS A 85 0.987 -0.619 6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.009 -2.020 4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.168 -0.431 3.487 1.00 0.00 H new ATOM 0 HG CYS A 85 4.642 -1.112 4.665 1.00 0.00 H new ATOM 1466 N ASN A 93 -0.961 2.370 -1.136 1.00 0.00 N ATOM 1467 CA ASN A 93 -1.382 1.648 0.058 1.00 0.00 C ATOM 1468 C ASN A 93 -0.841 0.222 0.051 1.00 0.00 C ATOM 1469 O ASN A 93 -1.460 -0.686 -0.502 1.00 0.00 O ATOM 1470 CB ASN A 93 -2.909 1.625 0.154 1.00 0.00 C ATOM 1471 CG ASN A 93 -3.569 1.386 -1.191 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -4.050 2.319 -1.833 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -3.594 0.130 -1.623 1.00 0.00 N ATOM 0 HA ASN A 93 -0.977 2.167 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.215 0.844 0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.259 2.572 0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.024 -0.092 -2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.183 -0.612 -1.057 1.00 0.00 H new ATOM 1480 N GLY A 94 0.321 0.032 0.670 1.00 0.00 N ATOM 1481 CA GLY A 94 0.926 -1.286 0.724 1.00 0.00 C ATOM 1482 C GLY A 94 -0.039 -2.348 1.212 1.00 0.00 C ATOM 1483 O GLY A 94 -0.870 -2.090 2.082 1.00 0.00 O ATOM 0 H GLY A 94 0.854 0.767 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.288 -1.557 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.793 -1.257 1.383 1.00 0.00 H new ATOM 1487 N VAL A 95 0.070 -3.547 0.649 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.801 -4.653 1.031 1.00 0.00 C ATOM 1489 C VAL A 95 0.004 -5.922 1.287 1.00 0.00 C ATOM 1490 O VAL A 95 0.476 -6.569 0.353 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.856 -4.937 -0.054 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.895 -5.924 0.456 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.516 -3.644 -0.508 1.00 0.00 C ATOM 0 H VAL A 95 0.753 -3.778 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.307 -4.356 1.949 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.356 -5.384 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.632 -6.112 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.406 -6.860 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.393 -5.508 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.259 -3.864 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.003 -3.166 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.760 -2.974 -0.917 1.00 0.00 H new ATOM 1503 N ARG A 96 0.155 -6.273 2.560 1.00 0.00 N ATOM 1504 CA ARG A 96 0.903 -7.466 2.940 1.00 0.00 C ATOM 1505 C ARG A 96 -0.020 -8.677 3.041 1.00 0.00 C ATOM 1506 O ARG A 96 -1.242 -8.537 3.089 1.00 0.00 O ATOM 1507 CB ARG A 96 1.616 -7.242 4.275 1.00 0.00 C ATOM 1508 CG ARG A 96 2.466 -5.982 4.308 1.00 0.00 C ATOM 1509 CD ARG A 96 3.882 -6.253 3.826 1.00 0.00 C ATOM 1510 NE ARG A 96 4.662 -7.000 4.809 1.00 0.00 N ATOM 1511 CZ ARG A 96 5.988 -6.971 4.871 1.00 0.00 C ATOM 1512 NH1 ARG A 96 6.679 -6.235 4.011 1.00 0.00 N ATOM 1513 NH2 ARG A 96 6.626 -7.678 5.795 1.00 0.00 N ATOM 0 H ARG A 96 -0.230 -5.749 3.345 1.00 0.00 H new ATOM 0 HA ARG A 96 1.646 -7.661 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.872 -7.189 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.249 -8.103 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.008 -5.216 3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.495 -5.588 5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.846 -6.813 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.379 -5.307 3.612 1.00 0.00 H new ATOM 0 HE ARG A 96 4.160 -7.576 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.192 -5.690 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.698 -6.214 4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.098 -8.245 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.645 -7.655 5.842 1.00 0.00 H new ATOM 1527 N PHE A 97 0.574 -9.865 3.072 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.194 -11.102 3.165 1.00 0.00 C ATOM 1529 C PHE A 97 0.477 -12.088 4.117 1.00 0.00 C ATOM 1530 O PHE A 97 1.537 -12.636 3.816 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.349 -11.736 1.781 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.470 -11.147 0.974 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.364 -9.870 0.446 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.629 -11.870 0.742 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.393 -9.325 -0.298 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.661 -11.330 -0.001 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.544 -10.056 -0.521 1.00 0.00 C ATOM 0 H PHE A 97 1.585 -9.998 3.034 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.181 -10.859 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.584 -11.620 1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.519 -12.806 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.467 -9.294 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.727 -12.867 1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.298 -8.329 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.559 -11.904 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.351 -9.632 -1.101 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.150 -12.308 5.268 1.00 0.00 N ATOM 1548 CA LYS A 98 0.384 -13.228 6.266 1.00 0.00 C ATOM 1549 C LYS A 98 -0.537 -14.431 6.443 1.00 0.00 C ATOM 1550 O LYS A 98 -1.724 -14.279 6.733 1.00 0.00 O ATOM 1551 CB LYS A 98 0.566 -12.510 7.605 1.00 0.00 C ATOM 1552 CG LYS A 98 0.992 -13.431 8.735 1.00 0.00 C ATOM 1553 CD LYS A 98 0.832 -12.762 10.090 1.00 0.00 C ATOM 1554 CE LYS A 98 -0.616 -12.782 10.554 1.00 0.00 C ATOM 1555 NZ LYS A 98 -0.731 -12.558 12.022 1.00 0.00 N ATOM 0 H LYS A 98 -1.028 -11.862 5.533 1.00 0.00 H new ATOM 0 HA LYS A 98 1.354 -13.583 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.311 -11.723 7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.371 -12.023 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.396 -14.343 8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.032 -13.725 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.457 -13.270 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.182 -11.731 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.178 -12.013 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.067 -13.740 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.691 -12.228 12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.544 -13.449 12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.039 -11.841 12.319 1.00 0.00 H new ATOM 1569 N ARG A 99 0.019 -15.626 6.270 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.753 -16.855 6.411 1.00 0.00 C ATOM 1571 C ARG A 99 -0.830 -17.283 7.874 1.00 0.00 C ATOM 1572 O ARG A 99 0.194 -17.462 8.534 1.00 0.00 O ATOM 1573 CB ARG A 99 -0.129 -17.973 5.574 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.744 -19.340 5.829 1.00 0.00 C ATOM 1575 CD ARG A 99 0.243 -20.459 5.532 1.00 0.00 C ATOM 1576 NE ARG A 99 1.039 -20.811 6.704 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.236 -21.384 6.634 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.772 -21.666 5.455 1.00 0.00 N ATOM 1579 NH2 ARG A 99 2.900 -21.674 7.746 1.00 0.00 N ATOM 0 H ARG A 99 1.001 -15.769 6.032 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.764 -16.663 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.236 -17.727 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.940 -18.020 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.069 -19.406 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.632 -19.462 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.300 -21.338 5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.905 -20.153 4.722 1.00 0.00 H new ATOM 0 HE ARG A 99 0.656 -20.606 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.266 -21.443 4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.691 -22.106 5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.492 -21.457 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.819 -22.114 7.691 1.00 0.00 H new ATOM 1593 N ILE A 100 -2.051 -17.444 8.374 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.262 -17.851 9.757 1.00 0.00 C ATOM 1595 C ILE A 100 -2.440 -19.362 9.865 1.00 0.00 C ATOM 1596 O ILE A 100 -1.733 -20.029 10.620 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.492 -17.155 10.368 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.267 -15.643 10.439 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.788 -17.718 11.750 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.406 -14.893 11.093 1.00 0.00 C ATOM 0 H ILE A 100 -2.909 -17.299 7.841 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.373 -17.552 10.312 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.354 -17.345 9.728 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.348 -15.446 10.992 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.121 -15.258 9.430 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.660 -17.216 12.168 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.987 -18.787 11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.929 -17.555 12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.178 -13.827 11.109 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.323 -15.060 10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.539 -15.251 12.114 1.00 0.00 H new ATOM 1612 N SER A 101 -3.390 -19.896 9.104 1.00 0.00 N ATOM 1613 CA SER A 101 -3.664 -21.328 9.114 1.00 0.00 C ATOM 1614 C SER A 101 -3.835 -21.859 7.694 1.00 0.00 C ATOM 1615 O SER A 101 -3.826 -21.096 6.729 1.00 0.00 O ATOM 1616 CB SER A 101 -4.921 -21.622 9.936 1.00 0.00 C ATOM 1617 OG SER A 101 -6.093 -21.367 9.183 1.00 0.00 O ATOM 0 H SER A 101 -3.983 -19.358 8.472 1.00 0.00 H new ATOM 0 HA SER A 101 -2.813 -21.833 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.912 -22.663 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.923 -21.008 10.836 1.00 0.00 H new ATOM 0 HG SER A 101 -6.882 -21.564 9.730 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.990 -23.174 7.576 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.160 -23.787 6.271 1.00 0.00 C ATOM 1625 C GLY A 102 -2.838 -24.061 5.582 1.00 0.00 C ATOM 1626 O GLY A 102 -1.776 -23.711 6.098 1.00 0.00 O ATOM 0 H GLY A 102 -4.001 -23.826 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.709 -24.722 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.765 -23.134 5.642 1.00 0.00 H new ATOM 1630 N THR A 103 -2.901 -24.690 4.413 1.00 0.00 N ATOM 1631 CA THR A 103 -1.700 -25.014 3.653 1.00 0.00 C ATOM 1632 C THR A 103 -1.221 -23.814 2.845 1.00 0.00 C ATOM 1633 O THR A 103 -2.022 -22.988 2.408 1.00 0.00 O ATOM 1634 CB THR A 103 -1.942 -26.198 2.699 1.00 0.00 C ATOM 1635 OG1 THR A 103 -2.944 -25.855 1.736 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.375 -27.436 3.470 1.00 0.00 C ATOM 0 H THR A 103 -3.772 -24.986 3.971 1.00 0.00 H new ATOM 0 HA THR A 103 -0.933 -25.291 4.376 1.00 0.00 H new ATOM 0 HB THR A 103 -1.006 -26.418 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.090 -26.613 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.540 -28.259 2.774 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.597 -27.713 4.181 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.299 -27.225 4.008 1.00 0.00 H new ATOM 1644 N SER A 104 0.091 -23.724 2.650 1.00 0.00 N ATOM 1645 CA SER A 104 0.678 -22.622 1.896 1.00 0.00 C ATOM 1646 C SER A 104 0.087 -22.549 0.491 1.00 0.00 C ATOM 1647 O SER A 104 -0.339 -21.486 0.040 1.00 0.00 O ATOM 1648 CB SER A 104 2.197 -22.784 1.814 1.00 0.00 C ATOM 1649 OG SER A 104 2.750 -23.060 3.090 1.00 0.00 O ATOM 0 H SER A 104 0.767 -24.401 3.004 1.00 0.00 H new ATOM 0 HA SER A 104 0.446 -21.694 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.443 -23.592 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.642 -21.874 1.410 1.00 0.00 H new ATOM 0 HG SER A 104 3.722 -23.161 3.011 1.00 0.00 H new ATOM 1655 N ILE A 105 0.065 -23.687 -0.194 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.475 -23.754 -1.547 1.00 0.00 C ATOM 1657 C ILE A 105 -1.704 -22.864 -1.692 1.00 0.00 C ATOM 1658 O ILE A 105 -1.682 -21.871 -2.419 1.00 0.00 O ATOM 1659 CB ILE A 105 -0.850 -25.197 -1.933 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.404 -26.069 -2.014 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -1.599 -25.213 -3.257 1.00 0.00 C ATOM 1662 CD1 ILE A 105 1.309 -25.721 -3.176 1.00 0.00 C ATOM 0 H ILE A 105 0.415 -24.575 0.165 1.00 0.00 H new ATOM 0 HA ILE A 105 0.308 -23.400 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.504 -25.605 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.965 -25.971 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.105 -27.114 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.857 -26.240 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.510 -24.621 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.967 -24.789 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.178 -26.379 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.764 -25.847 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.638 -24.686 -3.084 1.00 0.00 H new ATOM 1674 N ALA A 106 -2.776 -23.226 -0.994 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.014 -22.459 -1.042 1.00 0.00 C ATOM 1676 C ALA A 106 -3.744 -20.968 -0.868 1.00 0.00 C ATOM 1677 O ALA A 106 -4.291 -20.139 -1.594 1.00 0.00 O ATOM 1678 CB ALA A 106 -4.981 -22.950 0.024 1.00 0.00 C ATOM 0 H ALA A 106 -2.811 -24.046 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.466 -22.607 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.901 -22.368 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.208 -24.002 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.528 -22.832 1.008 1.00 0.00 H new ATOM 1684 N PHE A 107 -2.896 -20.635 0.100 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.555 -19.243 0.371 1.00 0.00 C ATOM 1686 C PHE A 107 -2.248 -18.497 -0.924 1.00 0.00 C ATOM 1687 O PHE A 107 -2.882 -17.490 -1.239 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.353 -19.166 1.315 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.141 -17.801 1.905 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.941 -17.349 2.943 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.143 -16.970 1.423 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.749 -16.094 3.489 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.054 -15.714 1.965 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.750 -15.275 2.998 1.00 0.00 C ATOM 0 H PHE A 107 -2.433 -21.309 0.709 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.414 -18.770 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.489 -19.885 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.455 -19.462 0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.724 -17.985 3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.488 -17.307 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.379 -15.754 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.836 -15.076 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.598 -14.293 3.422 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.269 -18.997 -1.671 1.00 0.00 N ATOM 1705 CA LYS A 108 -0.877 -18.380 -2.932 1.00 0.00 C ATOM 1706 C LYS A 108 -1.984 -18.516 -3.972 1.00 0.00 C ATOM 1707 O LYS A 108 -2.341 -17.548 -4.643 1.00 0.00 O ATOM 1708 CB LYS A 108 0.412 -19.018 -3.456 1.00 0.00 C ATOM 1709 CG LYS A 108 1.657 -18.580 -2.705 1.00 0.00 C ATOM 1710 CD LYS A 108 1.991 -19.536 -1.573 1.00 0.00 C ATOM 1711 CE LYS A 108 2.928 -20.641 -2.035 1.00 0.00 C ATOM 1712 NZ LYS A 108 2.735 -21.895 -1.255 1.00 0.00 N ATOM 0 H LYS A 108 -0.732 -19.829 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.703 -17.319 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.322 -20.102 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.528 -18.769 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.499 -18.524 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.507 -17.578 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.453 -18.985 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.073 -19.975 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.759 -20.842 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.961 -20.307 -1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.656 -22.238 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.115 -21.706 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.298 -22.618 -1.862 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.525 -19.723 -4.100 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.592 -19.985 -5.058 1.00 0.00 C ATOM 1728 C ASN A 109 -4.678 -18.917 -4.968 1.00 0.00 C ATOM 1729 O ASN A 109 -5.180 -18.440 -5.986 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.200 -21.368 -4.811 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.426 -22.471 -5.507 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.427 -23.015 -4.822 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -3.724 -22.831 -6.646 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.242 -20.535 -3.552 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.162 -19.958 -6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.224 -21.565 -3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.233 -21.376 -5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.500 -22.385 -7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.195 -23.576 -7.100 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.035 -18.546 -3.743 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.060 -17.534 -3.520 1.00 0.00 C ATOM 1742 C ILE A 110 -5.464 -16.131 -3.562 1.00 0.00 C ATOM 1743 O ILE A 110 -6.164 -15.156 -3.834 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.769 -17.739 -2.169 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.024 -16.866 -2.089 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.823 -17.421 -1.020 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.108 -17.278 -3.060 1.00 0.00 C ATOM 0 H ILE A 110 -4.630 -18.931 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.790 -17.641 -4.323 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.069 -18.784 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.421 -16.906 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.749 -15.829 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.339 -17.571 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.956 -18.080 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.495 -16.384 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.967 -16.617 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.728 -17.210 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.411 -18.304 -2.853 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.166 -16.037 -3.291 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.475 -14.753 -3.301 1.00 0.00 C ATOM 1761 C ALA A 111 -3.525 -14.114 -4.685 1.00 0.00 C ATOM 1762 O ALA A 111 -3.676 -12.898 -4.812 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.032 -14.927 -2.850 1.00 0.00 C ATOM 0 H ALA A 111 -3.572 -16.834 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.985 -14.088 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.528 -13.961 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.013 -15.333 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.520 -15.612 -3.526 1.00 0.00 H new ATOM 1769 N SER A 112 -3.398 -14.939 -5.718 1.00 0.00 N ATOM 1770 CA SER A 112 -3.424 -14.453 -7.093 1.00 0.00 C ATOM 1771 C SER A 112 -4.768 -13.806 -7.415 1.00 0.00 C ATOM 1772 O SER A 112 -4.826 -12.684 -7.917 1.00 0.00 O ATOM 1773 CB SER A 112 -3.151 -15.600 -8.067 1.00 0.00 C ATOM 1774 OG SER A 112 -3.133 -15.138 -9.407 1.00 0.00 O ATOM 0 H SER A 112 -3.276 -15.948 -5.630 1.00 0.00 H new ATOM 0 HA SER A 112 -2.643 -13.701 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.195 -16.066 -7.827 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.917 -16.367 -7.954 1.00 0.00 H new ATOM 0 HG SER A 112 -2.955 -15.890 -10.010 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.848 -14.523 -7.121 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.193 -14.022 -7.377 1.00 0.00 C ATOM 1782 C LYS A 113 -7.389 -12.647 -6.747 1.00 0.00 C ATOM 1783 O LYS A 113 -7.613 -11.659 -7.448 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.236 -14.999 -6.831 1.00 0.00 C ATOM 1785 CG LYS A 113 -9.542 -14.990 -7.606 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.486 -15.922 -8.804 1.00 0.00 C ATOM 1787 CE LYS A 113 -10.489 -15.517 -9.873 1.00 0.00 C ATOM 1788 NZ LYS A 113 -10.779 -16.634 -10.814 1.00 0.00 N ATOM 0 H LYS A 113 -5.817 -15.454 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.321 -13.930 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.821 -16.007 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.440 -14.754 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.358 -15.290 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.759 -13.976 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.481 -15.915 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.689 -16.943 -8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.415 -15.193 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.101 -14.664 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -11.467 -16.318 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.900 -16.927 -11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.173 -17.439 -10.286 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.304 -12.590 -5.422 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.470 -11.335 -4.699 1.00 0.00 C ATOM 1804 C ILE A 114 -6.788 -10.184 -5.432 1.00 0.00 C ATOM 1805 O ILE A 114 -7.404 -9.152 -5.696 1.00 0.00 O ATOM 1806 CB ILE A 114 -6.900 -11.429 -3.271 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.583 -12.560 -2.500 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.074 -10.104 -2.544 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.071 -12.358 -2.322 1.00 0.00 C ATOM 0 H ILE A 114 -7.121 -13.398 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.541 -11.142 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.834 -11.650 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.412 -13.500 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.117 -12.653 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.667 -10.186 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.546 -9.319 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.134 -9.856 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.488 -13.198 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.249 -11.435 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.549 -12.296 -3.300 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.514 -10.371 -5.760 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.750 -9.350 -6.466 1.00 0.00 C ATOM 1823 C ALA A 115 -5.404 -8.997 -7.797 1.00 0.00 C ATOM 1824 O ALA A 115 -5.752 -7.843 -8.042 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.319 -9.819 -6.686 1.00 0.00 C ATOM 0 H ALA A 115 -4.989 -11.220 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.735 -8.451 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.760 -9.047 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.848 -10.013 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.323 -10.734 -7.279 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.568 -9.999 -8.655 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.179 -9.793 -9.963 1.00 0.00 C ATOM 1833 C ASN A 116 -7.470 -8.989 -9.839 1.00 0.00 C ATOM 1834 O ASN A 116 -7.743 -8.108 -10.653 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.466 -11.139 -10.632 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.279 -11.656 -11.422 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.839 -11.028 -12.385 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.755 -12.807 -11.016 1.00 0.00 N ATOM 0 H ASN A 116 -5.286 -10.961 -8.468 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.478 -9.230 -10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.738 -11.870 -9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.324 -11.036 -11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.955 -13.205 -11.508 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.153 -13.293 -10.212 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.259 -9.299 -8.815 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.520 -8.605 -8.586 1.00 0.00 C ATOM 1847 C GLU A 117 -9.277 -7.186 -8.080 1.00 0.00 C ATOM 1848 O GLU A 117 -9.939 -6.240 -8.508 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.377 -9.377 -7.580 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.607 -10.829 -7.963 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.930 -11.366 -7.453 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.944 -10.646 -7.561 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -11.950 -12.506 -6.944 1.00 0.00 O ATOM 0 H GLU A 117 -8.047 -10.026 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.051 -8.547 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.896 -9.340 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.342 -8.879 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.575 -10.924 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.795 -11.438 -7.566 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.323 -7.046 -7.166 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.990 -5.743 -6.601 1.00 0.00 C ATOM 1862 C LEU A 118 -7.032 -4.983 -7.511 1.00 0.00 C ATOM 1863 O LEU A 118 -6.456 -3.968 -7.116 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.369 -5.911 -5.213 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.348 -5.949 -4.039 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.718 -6.643 -2.841 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.792 -4.542 -3.670 1.00 0.00 C ATOM 0 H LEU A 118 -7.767 -7.819 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.911 -5.167 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.789 -6.834 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.668 -5.092 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.227 -6.518 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.429 -6.661 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.451 -7.664 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.822 -6.102 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.488 -4.588 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.923 -3.949 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.284 -4.079 -4.526 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.866 -5.478 -8.733 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.981 -4.844 -9.702 1.00 0.00 C ATOM 1881 C LYS A 119 -4.586 -4.645 -9.117 1.00 0.00 C ATOM 1882 O LYS A 119 -3.875 -3.709 -9.485 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.556 -3.497 -10.145 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.754 -3.622 -11.070 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.343 -4.094 -12.455 1.00 0.00 C ATOM 1886 CE LYS A 119 -6.631 -2.996 -13.230 1.00 0.00 C ATOM 1887 NZ LYS A 119 -6.562 -3.300 -14.686 1.00 0.00 N ATOM 0 H LYS A 119 -7.334 -6.317 -9.076 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.903 -5.501 -10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.847 -2.928 -9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.776 -2.927 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.472 -4.323 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.257 -2.658 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.688 -4.961 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.226 -4.417 -13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.152 -2.050 -13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.622 -2.870 -12.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.070 -2.528 -15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.043 -4.190 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.525 -3.395 -15.067 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.201 -5.531 -8.205 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.890 -5.454 -7.570 1.00 0.00 C ATOM 1903 C LEU A 120 -1.856 -6.256 -8.354 1.00 0.00 C ATOM 1904 O LEU A 120 -2.198 -6.984 -9.286 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.967 -5.968 -6.131 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.799 -5.127 -5.162 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -4.013 -5.874 -3.855 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.126 -3.786 -4.907 1.00 0.00 C ATOM 0 H LEU A 120 -4.778 -6.311 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.580 -4.409 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.377 -6.978 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.953 -6.042 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.773 -4.943 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.607 -5.260 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.538 -6.809 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.048 -6.089 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.732 -3.201 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.139 -3.951 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.025 -3.245 -5.848 1.00 0.00 H new ATOM 1920 N SER A 121 -0.592 -6.120 -7.968 1.00 0.00 N ATOM 1921 CA SER A 121 0.492 -6.831 -8.635 1.00 0.00 C ATOM 1922 C SER A 121 0.230 -8.334 -8.645 1.00 0.00 C ATOM 1923 O SER A 121 -0.826 -8.795 -8.214 1.00 0.00 O ATOM 1924 CB SER A 121 1.825 -6.539 -7.943 1.00 0.00 C ATOM 1925 OG SER A 121 2.336 -5.276 -8.334 1.00 0.00 O ATOM 0 H SER A 121 -0.293 -5.524 -7.196 1.00 0.00 H new ATOM 0 HA SER A 121 0.542 -6.481 -9.666 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.690 -6.561 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.545 -7.319 -8.190 1.00 0.00 H new ATOM 0 HG SER A 121 3.187 -5.112 -7.877 1.00 0.00 H new ATOM 1931 N GLY A 122 1.202 -9.095 -9.141 1.00 0.00 N ATOM 1932 CA GLY A 122 1.058 -10.538 -9.199 1.00 0.00 C ATOM 1933 C GLY A 122 2.394 -11.255 -9.175 1.00 0.00 C ATOM 1934 O GLY A 122 2.880 -11.740 -10.197 1.00 0.00 O ATOM 0 H GLY A 122 2.086 -8.738 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 122 0.454 -10.874 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 122 0.519 -10.810 -10.107 1.00 0.00 H new ATOM 1938 N PRO A 123 3.010 -11.327 -7.986 1.00 0.00 N ATOM 1939 CA PRO A 123 4.307 -11.987 -7.806 1.00 0.00 C ATOM 1940 C PRO A 123 4.213 -13.501 -7.959 1.00 0.00 C ATOM 1941 O PRO A 123 3.879 -14.211 -7.011 1.00 0.00 O ATOM 1942 CB PRO A 123 4.696 -11.618 -6.372 1.00 0.00 C ATOM 1943 CG PRO A 123 3.401 -11.355 -5.684 1.00 0.00 C ATOM 1944 CD PRO A 123 2.489 -10.771 -6.727 1.00 0.00 C ATOM 0 HA PRO A 123 5.033 -11.670 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.243 -12.428 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.341 -10.740 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.984 -12.274 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.535 -10.664 -4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.451 -11.059 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.522 -9.681 -6.725 1.00 0.00 H new