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 : no HD1:sc= -0.142 X(o=-2.3,f=-2.2) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.2! C(o=-2.3!,f=-8.4!) USER MOD Set 2.1: A 38 LYS NZ :NH3+ 145:sc=0.000356 (180deg=-0.00314) USER MOD Set 2.2: A 86 CYS SG : rot -48:sc= -0.559 USER MOD Single : A 31 SER OG : rot 26:sc= 0.0517 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.13) USER MOD Single : A 61 SER OG : rot 24:sc= -0.28 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.96 K(o=-2,f=-7.5!) USER MOD Single : A 84 ASN : amide:sc= -0.352 K(o=-0.35,f=-2.5!) USER MOD Single : A 93 HIS :FLIP no HD1:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 29:sc= 0.25 USER MOD Single : A 103 THR OG1 : rot -160:sc= -1.39 USER MOD Single : A 106 GLN : amide:sc= -0.0967 K(o=-0.097,f=-0.93) USER MOD Single : A 108 THR OG1 : rot 101:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.921 7.875 -3.554 1.00 0.00 N ATOM 428 CA SER A 31 -11.203 7.300 -3.165 1.00 0.00 C ATOM 429 C SER A 31 -11.006 5.980 -2.426 1.00 0.00 C ATOM 430 O SER A 31 -9.962 5.340 -2.546 1.00 0.00 O ATOM 431 CB SER A 31 -12.081 7.080 -4.398 1.00 0.00 C ATOM 432 OG SER A 31 -12.342 8.304 -5.064 1.00 0.00 O ATOM 0 HA SER A 31 -11.699 8.001 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.587 6.389 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.022 6.617 -4.100 1.00 0.00 H new ATOM 0 HG SER A 31 -11.619 8.938 -4.878 1.00 0.00 H new ATOM 438 N ALA A 32 -12.016 5.581 -1.661 1.00 0.00 N ATOM 439 CA ALA A 32 -11.955 4.337 -0.902 1.00 0.00 C ATOM 440 C ALA A 32 -11.813 3.136 -1.829 1.00 0.00 C ATOM 441 O ALA A 32 -10.940 2.289 -1.635 1.00 0.00 O ATOM 442 CB ALA A 32 -13.192 4.191 -0.029 1.00 0.00 C ATOM 0 H ALA A 32 -12.887 6.101 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.074 4.373 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.133 3.258 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.248 5.029 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.082 4.181 -0.658 1.00 0.00 H new ATOM 448 N ASP A 33 -12.677 3.067 -2.837 1.00 0.00 N ATOM 449 CA ASP A 33 -12.649 1.968 -3.794 1.00 0.00 C ATOM 450 C ASP A 33 -11.310 1.917 -4.526 1.00 0.00 C ATOM 451 O ASP A 33 -10.854 0.848 -4.931 1.00 0.00 O ATOM 452 CB ASP A 33 -13.790 2.113 -4.803 1.00 0.00 C ATOM 453 CG ASP A 33 -14.432 0.783 -5.146 1.00 0.00 C ATOM 454 OD1 ASP A 33 -13.798 -0.264 -4.898 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.570 0.789 -5.662 1.00 0.00 O ATOM 0 H ASP A 33 -13.405 3.760 -3.012 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.777 1.036 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.547 2.785 -4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.409 2.575 -5.714 1.00 0.00 H new ATOM 460 N TYR A 34 -10.688 3.080 -4.693 1.00 0.00 N ATOM 461 CA TYR A 34 -9.403 3.168 -5.377 1.00 0.00 C ATOM 462 C TYR A 34 -8.347 2.332 -4.662 1.00 0.00 C ATOM 463 O TYR A 34 -7.631 1.550 -5.287 1.00 0.00 O ATOM 464 CB TYR A 34 -8.947 4.626 -5.462 1.00 0.00 C ATOM 465 CG TYR A 34 -7.630 4.808 -6.184 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.396 4.193 -7.408 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.622 5.596 -5.642 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.194 4.358 -8.070 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.419 5.766 -6.298 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.210 5.144 -7.512 1.00 0.00 C ATOM 471 OH TYR A 34 -4.011 5.311 -8.169 1.00 0.00 O ATOM 0 H TYR A 34 -11.053 3.974 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.528 2.774 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.714 5.209 -5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.857 5.029 -4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.165 3.576 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.782 6.084 -4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.027 3.873 -9.020 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.646 6.382 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.427 5.895 -7.641 1.00 0.00 H new ATOM 481 N LEU A 35 -8.254 2.504 -3.348 1.00 0.00 N ATOM 482 CA LEU A 35 -7.284 1.765 -2.547 1.00 0.00 C ATOM 483 C LEU A 35 -7.724 0.317 -2.356 1.00 0.00 C ATOM 484 O LEU A 35 -6.894 -0.590 -2.287 1.00 0.00 O ATOM 485 CB LEU A 35 -7.099 2.438 -1.185 1.00 0.00 C ATOM 486 CG LEU A 35 -6.937 3.958 -1.230 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.969 4.540 0.174 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.644 4.335 -1.936 1.00 0.00 C ATOM 0 H LEU A 35 -8.838 3.148 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.333 1.768 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.958 2.198 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.222 2.009 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.771 4.377 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.852 5.622 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.922 4.300 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.156 4.115 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.545 5.420 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.798 3.905 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.661 3.951 -2.956 1.00 0.00 H new ATOM 500 N ARG A 36 -9.033 0.107 -2.269 1.00 0.00 N ATOM 501 CA ARG A 36 -9.582 -1.232 -2.085 1.00 0.00 C ATOM 502 C ARG A 36 -9.396 -2.075 -3.342 1.00 0.00 C ATOM 503 O ARG A 36 -8.938 -3.216 -3.274 1.00 0.00 O ATOM 504 CB ARG A 36 -11.068 -1.152 -1.727 1.00 0.00 C ATOM 505 CG ARG A 36 -11.683 -2.496 -1.377 1.00 0.00 C ATOM 506 CD ARG A 36 -13.189 -2.489 -1.581 1.00 0.00 C ATOM 507 NE ARG A 36 -13.553 -2.235 -2.972 1.00 0.00 N ATOM 508 CZ ARG A 36 -13.508 -3.158 -3.930 1.00 0.00 C ATOM 509 NH1 ARG A 36 -13.118 -4.396 -3.651 1.00 0.00 N ATOM 510 NH2 ARG A 36 -13.855 -2.844 -5.171 1.00 0.00 N ATOM 0 H ARG A 36 -9.734 0.846 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.042 -1.709 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.194 -0.474 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.613 -0.720 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.235 -3.274 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.456 -2.742 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.601 -3.448 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.637 -1.726 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.860 -1.295 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.851 -4.644 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.086 -5.099 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.156 -1.895 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.820 -3.552 -5.905 1.00 0.00 H new ATOM 524 N GLU A 37 -9.754 -1.507 -4.488 1.00 0.00 N ATOM 525 CA GLU A 37 -9.627 -2.207 -5.761 1.00 0.00 C ATOM 526 C GLU A 37 -8.175 -2.586 -6.033 1.00 0.00 C ATOM 527 O GLU A 37 -7.878 -3.721 -6.404 1.00 0.00 O ATOM 528 CB GLU A 37 -10.161 -1.337 -6.901 1.00 0.00 C ATOM 529 CG GLU A 37 -11.674 -1.377 -7.040 1.00 0.00 C ATOM 530 CD GLU A 37 -12.144 -0.948 -8.416 1.00 0.00 C ATOM 531 OE1 GLU A 37 -11.395 -1.160 -9.393 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.263 -0.400 -8.517 1.00 0.00 O ATOM 0 H GLU A 37 -10.135 -0.564 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.217 -3.122 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.847 -0.306 -6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.710 -1.663 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.027 -2.388 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.122 -0.727 -6.288 1.00 0.00 H new ATOM 539 N LYS A 38 -7.274 -1.627 -5.847 1.00 0.00 N ATOM 540 CA LYS A 38 -5.852 -1.860 -6.072 1.00 0.00 C ATOM 541 C LYS A 38 -5.331 -2.971 -5.166 1.00 0.00 C ATOM 542 O LYS A 38 -4.688 -3.913 -5.630 1.00 0.00 O ATOM 543 CB LYS A 38 -5.059 -0.575 -5.829 1.00 0.00 C ATOM 544 CG LYS A 38 -3.729 -0.532 -6.565 1.00 0.00 C ATOM 545 CD LYS A 38 -2.726 0.361 -5.852 1.00 0.00 C ATOM 546 CE LYS A 38 -1.612 0.802 -6.786 1.00 0.00 C ATOM 547 NZ LYS A 38 -0.473 -0.157 -6.784 1.00 0.00 N ATOM 0 H LYS A 38 -7.503 -0.681 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.721 -2.170 -7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.663 0.278 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.877 -0.467 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.325 -1.541 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.885 -0.167 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.237 1.238 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.300 -0.174 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.004 0.898 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.257 1.788 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.060 -0.207 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.250 0.164 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.813 -1.099 -6.504 1.00 0.00 H new ATOM 561 N LEU A 39 -5.613 -2.855 -3.872 1.00 0.00 N ATOM 562 CA LEU A 39 -5.172 -3.850 -2.902 1.00 0.00 C ATOM 563 C LEU A 39 -5.845 -5.196 -3.157 1.00 0.00 C ATOM 564 O LEU A 39 -5.177 -6.224 -3.262 1.00 0.00 O ATOM 565 CB LEU A 39 -5.478 -3.376 -1.480 1.00 0.00 C ATOM 566 CG LEU A 39 -4.700 -2.139 -1.029 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.252 -1.611 0.286 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.218 -2.461 -0.896 1.00 0.00 C ATOM 0 H LEU A 39 -6.145 -2.082 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.095 -3.976 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.544 -3.163 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.267 -4.191 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.817 -1.364 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.686 -0.731 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.301 -1.342 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.166 -2.381 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.679 -1.570 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.082 -3.253 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.830 -2.792 -1.859 1.00 0.00 H new ATOM 580 N ARG A 40 -7.170 -5.180 -3.254 1.00 0.00 N ATOM 581 CA ARG A 40 -7.935 -6.399 -3.495 1.00 0.00 C ATOM 582 C ARG A 40 -7.520 -7.054 -4.799 1.00 0.00 C ATOM 583 O ARG A 40 -7.396 -8.277 -4.878 1.00 0.00 O ATOM 584 CB ARG A 40 -9.434 -6.094 -3.515 1.00 0.00 C ATOM 585 CG ARG A 40 -10.303 -7.332 -3.667 1.00 0.00 C ATOM 586 CD ARG A 40 -10.745 -7.528 -5.108 1.00 0.00 C ATOM 587 NE ARG A 40 -11.934 -8.371 -5.206 1.00 0.00 N ATOM 588 CZ ARG A 40 -11.911 -9.699 -5.115 1.00 0.00 C ATOM 589 NH1 ARG A 40 -10.764 -10.339 -4.924 1.00 0.00 N ATOM 590 NH2 ARG A 40 -13.039 -10.389 -5.215 1.00 0.00 N ATOM 0 H ARG A 40 -7.737 -4.336 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.726 -7.093 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.705 -5.581 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.646 -5.408 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.750 -8.210 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.180 -7.244 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.951 -6.557 -5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.933 -7.979 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.835 -7.915 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.893 -9.813 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.753 -11.357 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.923 -9.902 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.022 -11.406 -5.145 1.00 0.00 H new ATOM 604 N GLN A 41 -7.309 -6.244 -5.821 1.00 0.00 N ATOM 605 CA GLN A 41 -6.911 -6.764 -7.116 1.00 0.00 C ATOM 606 C GLN A 41 -5.446 -7.183 -7.111 1.00 0.00 C ATOM 607 O GLN A 41 -5.093 -8.245 -7.626 1.00 0.00 O ATOM 608 CB GLN A 41 -7.161 -5.726 -8.213 1.00 0.00 C ATOM 609 CG GLN A 41 -8.632 -5.413 -8.432 1.00 0.00 C ATOM 610 CD GLN A 41 -9.186 -6.067 -9.682 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.351 -7.286 -9.740 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.479 -5.256 -10.693 1.00 0.00 N ATOM 0 H GLN A 41 -7.406 -5.229 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.518 -7.646 -7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.637 -4.805 -7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.732 -6.087 -9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.204 -5.748 -7.567 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.764 -4.333 -8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.326 -4.252 -10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.857 -5.638 -11.560 1.00 0.00 H new ATOM 621 N ASP A 42 -4.596 -6.345 -6.528 1.00 0.00 N ATOM 622 CA ASP A 42 -3.167 -6.631 -6.458 1.00 0.00 C ATOM 623 C ASP A 42 -2.895 -7.822 -5.544 1.00 0.00 C ATOM 624 O ASP A 42 -2.341 -8.833 -5.974 1.00 0.00 O ATOM 625 CB ASP A 42 -2.405 -5.403 -5.956 1.00 0.00 C ATOM 626 CG ASP A 42 -0.904 -5.552 -6.108 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.418 -6.702 -6.095 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.215 -4.520 -6.242 1.00 0.00 O ATOM 0 H ASP A 42 -4.871 -5.462 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.821 -6.880 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.737 -4.523 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.646 -5.233 -4.907 1.00 0.00 H new ATOM 633 N LEU A 43 -3.288 -7.693 -4.280 1.00 0.00 N ATOM 634 CA LEU A 43 -3.085 -8.759 -3.305 1.00 0.00 C ATOM 635 C LEU A 43 -3.949 -9.973 -3.633 1.00 0.00 C ATOM 636 O LEU A 43 -3.622 -11.098 -3.256 1.00 0.00 O ATOM 637 CB LEU A 43 -3.407 -8.255 -1.897 1.00 0.00 C ATOM 638 CG LEU A 43 -2.442 -7.202 -1.350 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.014 -6.555 -0.097 1.00 0.00 C ATOM 640 CD2 LEU A 43 -1.084 -7.824 -1.060 1.00 0.00 C ATOM 0 H LEU A 43 -3.748 -6.862 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.039 -9.061 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.414 -7.837 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.416 -9.106 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.310 -6.428 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.314 -5.808 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.963 -6.075 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.175 -7.317 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.410 -7.061 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.198 -8.618 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.671 -8.240 -1.979 1.00 0.00 H new ATOM 652 N GLU A 44 -5.054 -9.740 -4.335 1.00 0.00 N ATOM 653 CA GLU A 44 -5.963 -10.818 -4.709 1.00 0.00 C ATOM 654 C GLU A 44 -6.548 -11.490 -3.471 1.00 0.00 C ATOM 655 O GLU A 44 -6.498 -12.713 -3.331 1.00 0.00 O ATOM 656 CB GLU A 44 -5.236 -11.850 -5.575 1.00 0.00 C ATOM 657 CG GLU A 44 -5.274 -11.535 -7.061 1.00 0.00 C ATOM 658 CD GLU A 44 -5.044 -12.761 -7.923 1.00 0.00 C ATOM 659 OE1 GLU A 44 -3.911 -13.288 -7.915 1.00 0.00 O ATOM 660 OE2 GLU A 44 -5.995 -13.195 -8.605 1.00 0.00 O ATOM 0 H GLU A 44 -5.341 -8.815 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.782 -10.387 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.197 -11.914 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.683 -12.830 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.240 -11.096 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.515 -10.787 -7.290 1.00 0.00 H new ATOM 667 N ALA A 45 -7.100 -10.681 -2.573 1.00 0.00 N ATOM 668 CA ALA A 45 -7.694 -11.195 -1.345 1.00 0.00 C ATOM 669 C ALA A 45 -9.053 -11.833 -1.616 1.00 0.00 C ATOM 670 O ALA A 45 -9.522 -11.857 -2.754 1.00 0.00 O ATOM 671 CB ALA A 45 -7.827 -10.080 -0.319 1.00 0.00 C ATOM 0 H ALA A 45 -7.148 -9.667 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.035 -11.966 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.272 -10.477 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.841 -9.672 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.463 -9.291 -0.720 1.00 0.00 H new ATOM 677 N GLU A 46 -9.680 -12.346 -0.563 1.00 0.00 N ATOM 678 CA GLU A 46 -10.986 -12.984 -0.687 1.00 0.00 C ATOM 679 C GLU A 46 -12.105 -11.992 -0.388 1.00 0.00 C ATOM 680 O GLU A 46 -13.041 -11.841 -1.173 1.00 0.00 O ATOM 681 CB GLU A 46 -11.083 -14.183 0.258 1.00 0.00 C ATOM 682 CG GLU A 46 -11.884 -15.343 -0.311 1.00 0.00 C ATOM 683 CD GLU A 46 -11.434 -16.684 0.234 1.00 0.00 C ATOM 684 OE1 GLU A 46 -10.277 -17.073 -0.028 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.239 -17.345 0.924 1.00 0.00 O ATOM 0 H GLU A 46 -9.305 -12.333 0.386 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.098 -13.331 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.077 -14.529 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.540 -13.861 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.940 -15.198 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.791 -15.346 -1.397 1.00 0.00 H new ATOM 692 N HIS A 47 -12.002 -11.319 0.754 1.00 0.00 N ATOM 693 CA HIS A 47 -13.006 -10.342 1.158 1.00 0.00 C ATOM 694 C HIS A 47 -12.348 -9.095 1.740 1.00 0.00 C ATOM 695 O HIS A 47 -11.606 -9.172 2.720 1.00 0.00 O ATOM 696 CB HIS A 47 -13.962 -10.955 2.183 1.00 0.00 C ATOM 697 CG HIS A 47 -15.383 -10.512 2.016 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.102 -10.710 0.856 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.218 -9.876 2.870 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.318 -10.215 1.005 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.415 -9.704 2.218 1.00 0.00 N ATOM 0 H HIS A 47 -11.234 -11.433 1.415 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.572 -10.052 0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.917 -12.041 2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.624 -10.693 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.986 -9.562 3.877 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.100 -10.227 0.260 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.244 -9.255 2.608 1.00 0.00 H new ATOM 710 N VAL A 48 -12.626 -7.947 1.133 1.00 0.00 N ATOM 711 CA VAL A 48 -12.062 -6.683 1.591 1.00 0.00 C ATOM 712 C VAL A 48 -13.161 -5.678 1.918 1.00 0.00 C ATOM 713 O VAL A 48 -14.301 -5.824 1.477 1.00 0.00 O ATOM 714 CB VAL A 48 -11.121 -6.072 0.535 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.899 -6.954 0.334 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.859 -5.862 -0.779 1.00 0.00 C ATOM 0 H VAL A 48 -13.239 -7.866 0.322 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.491 -6.900 2.494 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.783 -5.100 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.246 -6.506 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.359 -7.048 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.214 -7.941 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.179 -5.430 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.228 -6.820 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.699 -5.186 -0.620 1.00 0.00 H new ATOM 726 N GLU A 49 -12.811 -4.657 2.694 1.00 0.00 N ATOM 727 CA GLU A 49 -13.768 -3.627 3.079 1.00 0.00 C ATOM 728 C GLU A 49 -13.073 -2.284 3.280 1.00 0.00 C ATOM 729 O GLU A 49 -12.085 -2.188 4.008 1.00 0.00 O ATOM 730 CB GLU A 49 -14.496 -4.033 4.363 1.00 0.00 C ATOM 731 CG GLU A 49 -15.953 -3.603 4.397 1.00 0.00 C ATOM 732 CD GLU A 49 -16.855 -4.646 5.026 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.719 -4.893 6.243 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.697 -5.218 4.302 1.00 0.00 O ATOM 0 H GLU A 49 -11.872 -4.521 3.068 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.494 -3.523 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.443 -5.116 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.977 -3.599 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.040 -2.670 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.292 -3.400 3.381 1.00 0.00 H new ATOM 741 N VAL A 50 -13.594 -1.250 2.628 1.00 0.00 N ATOM 742 CA VAL A 50 -13.024 0.087 2.734 1.00 0.00 C ATOM 743 C VAL A 50 -14.050 1.081 3.270 1.00 0.00 C ATOM 744 O VAL A 50 -15.242 0.973 2.983 1.00 0.00 O ATOM 745 CB VAL A 50 -12.501 0.584 1.371 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.633 0.669 0.358 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.807 1.930 1.520 1.00 0.00 C ATOM 0 H VAL A 50 -14.411 -1.313 2.020 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.189 0.022 3.432 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.770 -0.136 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.242 1.022 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.078 -0.317 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.392 1.364 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.445 2.263 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.512 2.661 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.965 1.831 2.205 1.00 0.00 H new ATOM 757 N GLU A 51 -13.578 2.048 4.051 1.00 0.00 N ATOM 758 CA GLU A 51 -14.455 3.060 4.628 1.00 0.00 C ATOM 759 C GLU A 51 -13.827 4.445 4.527 1.00 0.00 C ATOM 760 O GLU A 51 -12.636 4.580 4.249 1.00 0.00 O ATOM 761 CB GLU A 51 -14.761 2.728 6.090 1.00 0.00 C ATOM 762 CG GLU A 51 -16.207 2.982 6.482 1.00 0.00 C ATOM 763 CD GLU A 51 -17.157 1.950 5.906 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.782 1.282 4.921 1.00 0.00 O ATOM 765 OE2 GLU A 51 -18.277 1.810 6.441 1.00 0.00 O ATOM 0 H GLU A 51 -12.594 2.152 4.298 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.387 3.063 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.522 1.680 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.110 3.321 6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.291 2.981 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.503 3.974 6.141 1.00 0.00 H new ATOM 772 N ASP A 52 -14.639 5.472 4.752 1.00 0.00 N ATOM 773 CA ASP A 52 -14.167 6.849 4.685 1.00 0.00 C ATOM 774 C ASP A 52 -14.961 7.741 5.634 1.00 0.00 C ATOM 775 O ASP A 52 -16.180 7.867 5.511 1.00 0.00 O ATOM 776 CB ASP A 52 -14.279 7.371 3.250 1.00 0.00 C ATOM 777 CG ASP A 52 -13.884 8.830 3.126 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.105 9.309 3.977 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.354 9.494 2.178 1.00 0.00 O ATOM 0 H ASP A 52 -15.628 5.376 4.983 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.121 6.871 4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.644 6.770 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.304 7.245 2.901 1.00 0.00 H new ATOM 904 N SER A 61 -8.936 10.333 6.793 1.00 0.00 N ATOM 905 CA SER A 61 -8.821 9.089 7.546 1.00 0.00 C ATOM 906 C SER A 61 -9.590 7.964 6.861 1.00 0.00 C ATOM 907 O SER A 61 -10.821 7.962 6.844 1.00 0.00 O ATOM 908 CB SER A 61 -9.339 9.281 8.973 1.00 0.00 C ATOM 909 OG SER A 61 -8.718 10.393 9.595 1.00 0.00 O ATOM 0 HA SER A 61 -7.767 8.814 7.583 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.419 9.427 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.149 8.380 9.557 1.00 0.00 H new ATOM 0 HG SER A 61 -8.400 11.016 8.909 1.00 0.00 H new ATOM 915 N PHE A 62 -8.857 7.011 6.295 1.00 0.00 N ATOM 916 CA PHE A 62 -9.470 5.881 5.607 1.00 0.00 C ATOM 917 C PHE A 62 -9.134 4.568 6.307 1.00 0.00 C ATOM 918 O PHE A 62 -8.181 4.493 7.084 1.00 0.00 O ATOM 919 CB PHE A 62 -9.005 5.829 4.152 1.00 0.00 C ATOM 920 CG PHE A 62 -9.548 6.945 3.306 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.799 6.841 2.719 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.808 8.098 3.098 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.302 7.866 1.941 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.305 9.126 2.321 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.554 9.010 1.741 1.00 0.00 C ATOM 0 H PHE A 62 -7.837 6.999 6.299 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.551 6.018 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.916 5.862 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.306 4.876 3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.388 5.948 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.831 8.194 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.279 7.773 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.718 10.019 2.167 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.945 9.812 1.133 1.00 0.00 H new ATOM 935 N ARG A 63 -9.921 3.535 6.026 1.00 0.00 N ATOM 936 CA ARG A 63 -9.706 2.224 6.628 1.00 0.00 C ATOM 937 C ARG A 63 -10.057 1.112 5.645 1.00 0.00 C ATOM 938 O ARG A 63 -11.194 1.016 5.180 1.00 0.00 O ATOM 939 CB ARG A 63 -10.545 2.079 7.899 1.00 0.00 C ATOM 940 CG ARG A 63 -12.019 2.386 7.694 1.00 0.00 C ATOM 941 CD ARG A 63 -12.650 2.955 8.954 1.00 0.00 C ATOM 942 NE ARG A 63 -12.757 1.955 10.014 1.00 0.00 N ATOM 943 CZ ARG A 63 -13.323 2.185 11.196 1.00 0.00 C ATOM 944 NH1 ARG A 63 -13.831 3.379 11.476 1.00 0.00 N ATOM 945 NH2 ARG A 63 -13.379 1.218 12.103 1.00 0.00 N ATOM 0 H ARG A 63 -10.713 3.580 5.385 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.650 2.139 6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.444 1.062 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.147 2.745 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.133 3.097 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.544 1.477 7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.055 3.797 9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.642 3.342 8.720 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.375 1.026 9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.789 4.126 10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.264 3.549 12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.988 0.299 11.894 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.813 1.393 13.009 1.00 0.00 H new ATOM 959 N VAL A 64 -9.075 0.274 5.331 1.00 0.00 N ATOM 960 CA VAL A 64 -9.280 -0.831 4.401 1.00 0.00 C ATOM 961 C VAL A 64 -8.993 -2.172 5.066 1.00 0.00 C ATOM 962 O VAL A 64 -8.063 -2.294 5.864 1.00 0.00 O ATOM 963 CB VAL A 64 -8.388 -0.688 3.153 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.809 0.518 2.328 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.924 -0.586 3.553 1.00 0.00 C ATOM 0 H VAL A 64 -8.129 0.339 5.707 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.326 -0.797 4.097 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.512 -1.579 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.167 0.601 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.844 0.397 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.718 1.421 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.309 -0.486 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.781 0.286 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.632 -1.485 4.096 1.00 0.00 H new ATOM 975 N LEU A 65 -9.797 -3.176 4.731 1.00 0.00 N ATOM 976 CA LEU A 65 -9.629 -4.511 5.295 1.00 0.00 C ATOM 977 C LEU A 65 -9.192 -5.501 4.220 1.00 0.00 C ATOM 978 O LEU A 65 -9.495 -5.327 3.040 1.00 0.00 O ATOM 979 CB LEU A 65 -10.935 -4.980 5.944 1.00 0.00 C ATOM 980 CG LEU A 65 -10.903 -5.064 7.471 1.00 0.00 C ATOM 981 CD1 LEU A 65 -9.919 -6.130 7.926 1.00 0.00 C ATOM 982 CD2 LEU A 65 -10.542 -3.713 8.069 1.00 0.00 C ATOM 0 H LEU A 65 -10.571 -3.091 4.072 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.851 -4.465 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.735 -4.300 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.189 -5.963 5.546 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.896 -5.342 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.910 -6.175 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.220 -7.098 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.921 -5.882 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.523 -3.790 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.559 -3.407 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.284 -2.973 7.770 1.00 0.00 H new ATOM 994 N VAL A 66 -8.477 -6.541 4.637 1.00 0.00 N ATOM 995 CA VAL A 66 -7.998 -7.559 3.711 1.00 0.00 C ATOM 996 C VAL A 66 -7.886 -8.918 4.393 1.00 0.00 C ATOM 997 O VAL A 66 -7.146 -9.077 5.364 1.00 0.00 O ATOM 998 CB VAL A 66 -6.628 -7.181 3.119 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.245 -8.139 2.001 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.639 -5.745 2.617 1.00 0.00 C ATOM 0 H VAL A 66 -8.217 -6.700 5.610 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.730 -7.620 2.906 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.880 -7.261 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.274 -7.855 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.191 -9.154 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.995 -8.095 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.662 -5.497 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.400 -5.636 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.863 -5.072 3.445 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.625 -9.896 3.878 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.607 -11.241 4.437 1.00 0.00 C ATOM 1012 C VAL A 67 -8.384 -12.284 3.346 1.00 0.00 C ATOM 1013 O VAL A 67 -9.175 -12.395 2.410 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.922 -11.559 5.174 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.814 -12.885 5.913 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.281 -10.435 6.132 1.00 0.00 C ATOM 0 H VAL A 67 -9.243 -9.781 3.075 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.782 -11.279 5.148 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.719 -11.645 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.752 -13.092 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.607 -13.683 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.005 -12.831 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.213 -10.677 6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.484 -10.314 6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.404 -9.507 5.574 1.00 0.00 H new ATOM 1026 N SER A 68 -7.303 -13.045 3.475 1.00 0.00 N ATOM 1027 CA SER A 68 -6.973 -14.079 2.500 1.00 0.00 C ATOM 1028 C SER A 68 -5.687 -14.803 2.886 1.00 0.00 C ATOM 1029 O SER A 68 -5.141 -14.584 3.968 1.00 0.00 O ATOM 1030 CB SER A 68 -6.827 -13.470 1.104 1.00 0.00 C ATOM 1031 OG SER A 68 -7.278 -14.367 0.105 1.00 0.00 O ATOM 0 H SER A 68 -6.640 -12.966 4.246 1.00 0.00 H new ATOM 0 HA SER A 68 -7.788 -14.802 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.396 -12.542 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.783 -13.215 0.923 1.00 0.00 H new ATOM 0 HG SER A 68 -6.897 -14.111 -0.761 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.207 -15.663 1.995 1.00 0.00 N ATOM 1038 CA ALA A 69 -3.984 -16.418 2.242 1.00 0.00 C ATOM 1039 C ALA A 69 -2.777 -15.769 1.564 1.00 0.00 C ATOM 1040 O ALA A 69 -1.657 -16.271 1.665 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.148 -17.853 1.766 1.00 0.00 C ATOM 0 H ALA A 69 -5.646 -15.855 1.095 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.802 -16.416 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.228 -18.407 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.972 -18.323 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.361 -17.860 0.697 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.007 -14.654 0.873 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.934 -13.948 0.185 1.00 0.00 C ATOM 1049 C LYS A 70 -0.855 -13.508 1.170 1.00 0.00 C ATOM 1050 O LYS A 70 0.338 -13.581 0.873 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.491 -12.731 -0.558 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.432 -11.928 -1.296 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.750 -12.758 -2.372 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.673 -13.008 -3.555 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.277 -14.220 -4.323 1.00 0.00 N ATOM 0 H LYS A 70 -3.926 -14.223 0.776 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.486 -14.631 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.244 -13.065 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.996 -12.080 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.891 -11.049 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.687 -11.568 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.149 -12.245 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.432 -13.711 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.697 -13.123 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.661 -12.140 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.931 -14.355 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.309 -14.101 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.313 -15.053 -3.701 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.282 -13.053 2.343 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.353 -12.602 3.373 1.00 0.00 C ATOM 1071 C PHE A 71 0.328 -13.788 4.048 1.00 0.00 C ATOM 1072 O PHE A 71 1.468 -13.688 4.501 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.085 -11.758 4.417 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.765 -10.548 3.841 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.075 -9.677 3.014 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.095 -10.283 4.126 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.697 -8.564 2.483 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.723 -9.171 3.598 1.00 0.00 C ATOM 1079 CZ PHE A 71 -3.023 -8.310 2.776 1.00 0.00 C ATOM 0 H PHE A 71 -2.266 -12.987 2.604 1.00 0.00 H new ATOM 0 HA PHE A 71 0.412 -11.991 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.828 -12.378 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.373 -11.437 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.038 -9.871 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.647 -10.953 4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.147 -7.893 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.760 -8.976 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.511 -7.440 2.363 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.379 -14.912 4.113 1.00 0.00 N ATOM 1090 CA GLU A 72 0.157 -16.118 4.733 1.00 0.00 C ATOM 1091 C GLU A 72 1.412 -16.591 4.007 1.00 0.00 C ATOM 1092 O GLU A 72 2.303 -17.189 4.613 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.900 -17.225 4.731 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.534 -17.464 6.092 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.689 -18.358 6.978 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.011 -19.258 6.441 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -0.706 -18.157 8.211 1.00 0.00 O ATOM 0 H GLU A 72 -1.325 -15.012 3.744 1.00 0.00 H new ATOM 0 HA GLU A 72 0.425 -15.883 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.681 -16.968 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.443 -18.152 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.689 -16.507 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.517 -17.916 5.957 1.00 0.00 H new ATOM 1104 N GLY A 73 1.477 -16.321 2.708 1.00 0.00 N ATOM 1105 CA GLY A 73 2.628 -16.726 1.922 1.00 0.00 C ATOM 1106 C GLY A 73 3.924 -16.134 2.440 1.00 0.00 C ATOM 1107 O GLY A 73 4.907 -16.850 2.635 1.00 0.00 O ATOM 0 H GLY A 73 0.753 -15.829 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.702 -17.813 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.482 -16.421 0.886 1.00 0.00 H new ATOM 1111 N LYS A 74 3.927 -14.824 2.662 1.00 0.00 N ATOM 1112 CA LYS A 74 5.113 -14.136 3.159 1.00 0.00 C ATOM 1113 C LYS A 74 4.966 -13.795 4.641 1.00 0.00 C ATOM 1114 O LYS A 74 3.860 -13.806 5.181 1.00 0.00 O ATOM 1115 CB LYS A 74 5.364 -12.860 2.353 1.00 0.00 C ATOM 1116 CG LYS A 74 6.023 -13.112 1.007 1.00 0.00 C ATOM 1117 CD LYS A 74 6.907 -11.946 0.594 1.00 0.00 C ATOM 1118 CE LYS A 74 7.189 -11.964 -0.900 1.00 0.00 C ATOM 1119 NZ LYS A 74 8.399 -12.768 -1.228 1.00 0.00 N ATOM 0 H LYS A 74 3.122 -14.218 2.506 1.00 0.00 H new ATOM 0 HA LYS A 74 5.965 -14.805 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.415 -12.348 2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.994 -12.189 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.620 -14.023 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.256 -13.275 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.422 -11.007 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.847 -11.988 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.327 -12.374 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.324 -10.943 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.556 -12.755 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.226 -12.362 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.260 -13.749 -0.912 1.00 0.00 H new ATOM 1133 N PRO A 75 6.085 -13.484 5.318 1.00 0.00 N ATOM 1134 CA PRO A 75 6.074 -13.139 6.743 1.00 0.00 C ATOM 1135 C PRO A 75 5.077 -12.031 7.064 1.00 0.00 C ATOM 1136 O PRO A 75 4.334 -11.580 6.193 1.00 0.00 O ATOM 1137 CB PRO A 75 7.504 -12.663 7.006 1.00 0.00 C ATOM 1138 CG PRO A 75 8.327 -13.337 5.961 1.00 0.00 C ATOM 1139 CD PRO A 75 7.445 -13.447 4.749 1.00 0.00 C ATOM 0 HA PRO A 75 5.771 -13.983 7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.580 -11.578 6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.834 -12.937 8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.225 -12.761 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.654 -14.321 6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.577 -12.598 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.664 -14.346 4.173 1.00 0.00 H new ATOM 1147 N LEU A 76 5.067 -11.597 8.320 1.00 0.00 N ATOM 1148 CA LEU A 76 4.161 -10.540 8.755 1.00 0.00 C ATOM 1149 C LEU A 76 4.681 -9.169 8.337 1.00 0.00 C ATOM 1150 O LEU A 76 3.903 -8.267 8.028 1.00 0.00 O ATOM 1151 CB LEU A 76 3.982 -10.588 10.275 1.00 0.00 C ATOM 1152 CG LEU A 76 3.084 -9.495 10.855 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.355 -10.005 12.089 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.903 -8.257 11.191 1.00 0.00 C ATOM 0 H LEU A 76 5.675 -11.960 9.054 1.00 0.00 H new ATOM 0 HA LEU A 76 3.196 -10.703 8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.568 -11.559 10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.964 -10.517 10.744 1.00 0.00 H new ATOM 0 HG LEU A 76 2.341 -9.223 10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.720 -9.214 12.489 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.739 -10.863 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.082 -10.303 12.844 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.249 -7.489 11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.667 -8.514 11.925 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.381 -7.880 10.287 1.00 0.00 H new ATOM 1166 N LEU A 77 6.001 -9.020 8.329 1.00 0.00 N ATOM 1167 CA LEU A 77 6.626 -7.758 7.949 1.00 0.00 C ATOM 1168 C LEU A 77 6.566 -7.554 6.438 1.00 0.00 C ATOM 1169 O LEU A 77 6.476 -6.425 5.957 1.00 0.00 O ATOM 1170 CB LEU A 77 8.081 -7.721 8.423 1.00 0.00 C ATOM 1171 CG LEU A 77 8.964 -8.851 7.890 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.644 -8.431 6.596 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.997 -9.254 8.931 1.00 0.00 C ATOM 0 H LEU A 77 6.659 -9.757 8.581 1.00 0.00 H new ATOM 0 HA LEU A 77 6.074 -6.950 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.519 -6.768 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.093 -7.754 9.512 1.00 0.00 H new ATOM 0 HG LEU A 77 8.332 -9.714 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.268 -9.247 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.888 -8.191 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.264 -7.554 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.617 -10.059 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.625 -8.396 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.490 -9.596 9.833 1.00 0.00 H new ATOM 1185 N GLN A 78 6.616 -8.655 5.695 1.00 0.00 N ATOM 1186 CA GLN A 78 6.567 -8.597 4.239 1.00 0.00 C ATOM 1187 C GLN A 78 5.181 -8.178 3.757 1.00 0.00 C ATOM 1188 O GLN A 78 5.050 -7.324 2.880 1.00 0.00 O ATOM 1189 CB GLN A 78 6.940 -9.955 3.640 1.00 0.00 C ATOM 1190 CG GLN A 78 8.422 -10.099 3.337 1.00 0.00 C ATOM 1191 CD GLN A 78 8.830 -9.384 2.065 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.851 -9.976 0.986 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.156 -8.103 2.185 1.00 0.00 N ATOM 0 H GLN A 78 6.690 -9.598 6.077 1.00 0.00 H new ATOM 0 HA GLN A 78 7.288 -7.851 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.641 -10.742 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.373 -10.106 2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.000 -9.704 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.670 -11.157 3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.124 -7.652 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.438 -7.569 1.363 1.00 0.00 H new ATOM 1202 N ARG A 79 4.151 -8.786 4.335 1.00 0.00 N ATOM 1203 CA ARG A 79 2.775 -8.477 3.964 1.00 0.00 C ATOM 1204 C ARG A 79 2.461 -7.006 4.216 1.00 0.00 C ATOM 1205 O ARG A 79 1.752 -6.370 3.435 1.00 0.00 O ATOM 1206 CB ARG A 79 1.803 -9.358 4.751 1.00 0.00 C ATOM 1207 CG ARG A 79 2.021 -9.312 6.255 1.00 0.00 C ATOM 1208 CD ARG A 79 0.848 -9.922 7.006 1.00 0.00 C ATOM 1209 NE ARG A 79 0.961 -11.374 7.110 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.098 -12.140 7.774 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.943 -11.595 8.393 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.275 -13.452 7.820 1.00 0.00 N ATOM 0 H ARG A 79 4.243 -9.495 5.062 1.00 0.00 H new ATOM 0 HA ARG A 79 2.658 -8.678 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.782 -9.045 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.902 -10.388 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.935 -9.849 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.160 -8.279 6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.793 -9.490 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.081 -9.666 6.497 1.00 0.00 H new ATOM 0 HE ARG A 79 1.748 -11.828 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.084 -10.585 8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.601 -12.186 8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.073 -13.876 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.387 -14.038 8.329 1.00 0.00 H new ATOM 1226 N HIS A 80 2.993 -6.470 5.309 1.00 0.00 N ATOM 1227 CA HIS A 80 2.768 -5.073 5.662 1.00 0.00 C ATOM 1228 C HIS A 80 3.435 -4.142 4.654 1.00 0.00 C ATOM 1229 O HIS A 80 2.903 -3.082 4.326 1.00 0.00 O ATOM 1230 CB HIS A 80 3.302 -4.788 7.068 1.00 0.00 C ATOM 1231 CG HIS A 80 2.340 -5.145 8.158 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.625 -4.980 9.497 1.00 0.00 N ATOM 1233 CD2 HIS A 80 1.089 -5.662 8.101 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.592 -5.380 10.217 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.647 -5.798 9.394 1.00 0.00 N ATOM 0 H HIS A 80 3.583 -6.981 5.966 1.00 0.00 H new ATOM 0 HA HIS A 80 1.694 -4.888 5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.228 -5.344 7.216 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.550 -3.729 7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.542 -5.919 7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.531 -5.367 11.295 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.264 -6.163 9.674 1.00 0.00 H new ATOM 1244 N ARG A 81 4.603 -4.547 4.166 1.00 0.00 N ATOM 1245 CA ARG A 81 5.342 -3.749 3.194 1.00 0.00 C ATOM 1246 C ARG A 81 4.646 -3.763 1.836 1.00 0.00 C ATOM 1247 O ARG A 81 4.686 -2.780 1.097 1.00 0.00 O ATOM 1248 CB ARG A 81 6.775 -4.273 3.056 1.00 0.00 C ATOM 1249 CG ARG A 81 7.813 -3.390 3.728 1.00 0.00 C ATOM 1250 CD ARG A 81 9.225 -3.806 3.352 1.00 0.00 C ATOM 1251 NE ARG A 81 10.234 -3.039 4.079 1.00 0.00 N ATOM 1252 CZ ARG A 81 11.543 -3.143 3.862 1.00 0.00 C ATOM 1253 NH1 ARG A 81 12.006 -3.981 2.941 1.00 0.00 N ATOM 1254 NH2 ARG A 81 12.393 -2.408 4.567 1.00 0.00 N ATOM 0 H ARG A 81 5.058 -5.422 4.427 1.00 0.00 H new ATOM 0 HA ARG A 81 5.373 -2.720 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.830 -5.274 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.019 -4.365 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.650 -2.351 3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.693 -3.444 4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.358 -4.868 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.369 -3.671 2.280 1.00 0.00 H new ATOM 0 HE ARG A 81 9.917 -2.385 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.357 -4.549 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.010 -4.057 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.043 -1.763 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.396 -2.488 4.400 1.00 0.00 H new ATOM 1268 N LEU A 82 4.009 -4.884 1.516 1.00 0.00 N ATOM 1269 CA LEU A 82 3.305 -5.027 0.247 1.00 0.00 C ATOM 1270 C LEU A 82 2.199 -3.983 0.118 1.00 0.00 C ATOM 1271 O LEU A 82 2.054 -3.345 -0.924 1.00 0.00 O ATOM 1272 CB LEU A 82 2.713 -6.433 0.125 1.00 0.00 C ATOM 1273 CG LEU A 82 3.621 -7.461 -0.551 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.027 -8.855 -0.438 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.847 -7.092 -2.010 1.00 0.00 C ATOM 0 H LEU A 82 3.966 -5.707 2.118 1.00 0.00 H new ATOM 0 HA LEU A 82 4.022 -4.871 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.462 -6.793 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.780 -6.371 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 82 4.585 -7.458 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.687 -9.572 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.916 -9.119 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.050 -8.875 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.495 -7.834 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.890 -7.067 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.318 -6.111 -2.068 1.00 0.00 H new ATOM 1287 N VAL A 83 1.423 -3.817 1.184 1.00 0.00 N ATOM 1288 CA VAL A 83 0.331 -2.851 1.190 1.00 0.00 C ATOM 1289 C VAL A 83 0.857 -1.426 1.040 1.00 0.00 C ATOM 1290 O VAL A 83 0.287 -0.618 0.307 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.497 -2.945 2.485 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.743 -2.080 2.387 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -0.865 -4.392 2.778 1.00 0.00 C ATOM 0 H VAL A 83 1.530 -4.339 2.054 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.308 -3.092 0.341 1.00 0.00 H new ATOM 0 HB VAL A 83 0.110 -2.573 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.315 -2.160 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.453 -1.041 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.356 -2.418 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.450 -4.440 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.453 -4.792 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.044 -4.982 2.896 1.00 0.00 H new ATOM 1303 N ASN A 84 1.946 -1.127 1.739 1.00 0.00 N ATOM 1304 CA ASN A 84 2.548 0.200 1.684 1.00 0.00 C ATOM 1305 C ASN A 84 3.162 0.463 0.313 1.00 0.00 C ATOM 1306 O ASN A 84 3.048 1.563 -0.228 1.00 0.00 O ATOM 1307 CB ASN A 84 3.618 0.344 2.769 1.00 0.00 C ATOM 1308 CG ASN A 84 3.032 0.300 4.167 1.00 0.00 C ATOM 1309 OD1 ASN A 84 2.047 0.977 4.462 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.638 -0.499 5.038 1.00 0.00 N ATOM 0 H ASN A 84 2.430 -1.785 2.350 1.00 0.00 H new ATOM 0 HA ASN A 84 1.762 0.935 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.352 -0.454 2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.149 1.286 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.289 -0.569 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.452 -1.043 4.751 1.00 0.00 H new ATOM 1317 N GLU A 85 3.811 -0.554 -0.244 1.00 0.00 N ATOM 1318 CA GLU A 85 4.442 -0.434 -1.554 1.00 0.00 C ATOM 1319 C GLU A 85 3.411 -0.093 -2.625 1.00 0.00 C ATOM 1320 O GLU A 85 3.717 0.599 -3.596 1.00 0.00 O ATOM 1321 CB GLU A 85 5.163 -1.733 -1.917 1.00 0.00 C ATOM 1322 CG GLU A 85 6.491 -1.913 -1.199 1.00 0.00 C ATOM 1323 CD GLU A 85 7.586 -2.422 -2.115 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.699 -3.655 -2.279 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.329 -1.587 -2.671 1.00 0.00 O ATOM 0 H GLU A 85 3.914 -1.471 0.191 1.00 0.00 H new ATOM 0 HA GLU A 85 5.170 0.376 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.515 -2.577 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.335 -1.755 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.798 -0.961 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.361 -2.611 -0.372 1.00 0.00 H new ATOM 1332 N CYS A 86 2.190 -0.584 -2.442 1.00 0.00 N ATOM 1333 CA CYS A 86 1.114 -0.332 -3.394 1.00 0.00 C ATOM 1334 C CYS A 86 0.759 1.150 -3.433 1.00 0.00 C ATOM 1335 O CYS A 86 0.859 1.795 -4.477 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.122 -1.157 -3.028 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.222 -2.751 -3.875 1.00 0.00 S ATOM 0 H CYS A 86 1.921 -1.159 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 86 1.460 -0.630 -4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.125 -1.329 -1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.015 -0.577 -3.261 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.014 -2.580 -5.147 1.00 0.00 H new ATOM 1343 N LEU A 87 0.343 1.685 -2.289 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.026 3.092 -2.193 1.00 0.00 C ATOM 1345 C LEU A 87 1.022 3.877 -1.411 1.00 0.00 C ATOM 1346 O LEU A 87 0.690 4.688 -0.546 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.396 3.235 -1.524 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.452 2.232 -1.989 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.505 2.026 -0.911 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.098 2.702 -3.284 1.00 0.00 C ATOM 0 H LEU A 87 0.253 1.165 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.078 3.500 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.269 3.132 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.769 4.243 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.961 1.277 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.248 1.309 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.030 1.645 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.993 2.976 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.847 1.977 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.575 3.669 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.336 2.798 -4.057 1.00 0.00 H new ATOM 1362 N ALA A 88 2.290 3.630 -1.720 1.00 0.00 N ATOM 1363 CA ALA A 88 3.388 4.313 -1.047 1.00 0.00 C ATOM 1364 C ALA A 88 3.368 5.809 -1.341 1.00 0.00 C ATOM 1365 O ALA A 88 3.551 6.630 -0.442 1.00 0.00 O ATOM 1366 CB ALA A 88 4.720 3.710 -1.468 1.00 0.00 C ATOM 0 H ALA A 88 2.583 2.962 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 88 3.262 4.179 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.532 4.229 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.741 2.653 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.843 3.815 -2.546 1.00 0.00 H new ATOM 1372 N GLU A 89 3.144 6.158 -2.603 1.00 0.00 N ATOM 1373 CA GLU A 89 3.100 7.557 -3.014 1.00 0.00 C ATOM 1374 C GLU A 89 1.796 8.215 -2.573 1.00 0.00 C ATOM 1375 O GLU A 89 1.774 9.391 -2.212 1.00 0.00 O ATOM 1376 CB GLU A 89 3.256 7.671 -4.531 1.00 0.00 C ATOM 1377 CG GLU A 89 4.675 7.428 -5.016 1.00 0.00 C ATOM 1378 CD GLU A 89 4.903 7.933 -6.427 1.00 0.00 C ATOM 1379 OE1 GLU A 89 4.571 7.200 -7.382 1.00 0.00 O ATOM 1380 OE2 GLU A 89 5.413 9.064 -6.577 1.00 0.00 O ATOM 0 H GLU A 89 2.990 5.491 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 89 3.928 8.076 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.589 6.955 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.938 8.665 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.375 7.920 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.891 6.360 -4.977 1.00 0.00 H new ATOM 1387 N GLU A 90 0.710 7.449 -2.612 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.601 7.956 -2.220 1.00 0.00 C ATOM 1389 C GLU A 90 -0.721 8.074 -0.701 1.00 0.00 C ATOM 1390 O GLU A 90 -1.451 8.925 -0.191 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.704 7.041 -2.759 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.925 7.793 -3.260 1.00 0.00 C ATOM 1393 CD GLU A 90 -3.988 7.957 -2.191 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -3.719 8.649 -1.186 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -5.090 7.392 -2.358 1.00 0.00 O ATOM 0 H GLU A 90 0.712 6.474 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.715 8.952 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.300 6.438 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.010 6.351 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.620 8.776 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.350 7.262 -4.112 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.008 7.209 0.017 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.043 7.207 1.478 1.00 0.00 C ATOM 1404 C LEU A 91 0.153 8.614 2.048 1.00 0.00 C ATOM 1405 O LEU A 91 -0.696 9.114 2.784 1.00 0.00 O ATOM 1406 CB LEU A 91 1.027 6.262 2.033 1.00 0.00 C ATOM 1407 CG LEU A 91 0.509 4.896 2.484 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.637 4.068 3.080 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.623 5.061 3.489 1.00 0.00 C ATOM 0 H LEU A 91 0.602 6.500 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.028 6.855 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.789 6.111 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.515 6.746 2.879 1.00 0.00 H new ATOM 0 HG LEU A 91 0.121 4.369 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.250 3.099 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.415 3.921 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.055 4.589 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.980 4.079 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.260 5.607 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.441 5.615 3.028 1.00 0.00 H new ATOM 1421 N PRO A 92 1.278 9.273 1.717 1.00 0.00 N ATOM 1422 CA PRO A 92 1.576 10.623 2.203 1.00 0.00 C ATOM 1423 C PRO A 92 0.373 11.559 2.109 1.00 0.00 C ATOM 1424 O PRO A 92 0.219 12.470 2.923 1.00 0.00 O ATOM 1425 CB PRO A 92 2.689 11.089 1.268 1.00 0.00 C ATOM 1426 CG PRO A 92 3.394 9.838 0.870 1.00 0.00 C ATOM 1427 CD PRO A 92 2.350 8.751 0.847 1.00 0.00 C ATOM 0 HA PRO A 92 1.851 10.626 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.285 11.610 0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.364 11.782 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.860 9.949 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.189 9.598 1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.989 8.565 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.746 7.808 1.223 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.476 11.329 1.113 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.664 12.153 0.915 1.00 0.00 C ATOM 1437 C HIS A 93 -2.737 11.817 1.946 1.00 0.00 C ATOM 1438 O HIS A 93 -3.508 12.682 2.359 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.217 11.957 -0.497 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.281 12.408 -1.576 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -0.299 11.745 -2.229 1.00 0.00 N flip ATOM 1442 CD2 HIS A 93 -1.294 13.683 -2.099 1.00 0.00 C flip ATOM 1443 CE1 HIS A 93 0.257 12.623 -3.127 1.00 0.00 C flip ATOM 1444 NE2 HIS A 93 -0.362 13.785 -3.029 1.00 0.00 N flip ATOM 0 H HIS A 93 -0.364 10.579 0.430 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.377 13.197 1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.447 10.902 -0.645 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.155 12.504 -0.590 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.962 14.475 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.069 12.399 -3.803 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -0.156 14.619 -3.578 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.779 10.554 2.355 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.757 10.100 3.337 1.00 0.00 C ATOM 1455 C ILE A 94 -3.395 10.583 4.737 1.00 0.00 C ATOM 1456 O ILE A 94 -2.385 10.168 5.305 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.868 8.562 3.353 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -4.015 8.023 1.929 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -5.041 8.124 4.217 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.284 8.473 1.240 1.00 0.00 C ATOM 0 H ILE A 94 -2.147 9.826 2.022 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.717 10.524 3.044 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.954 8.152 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.157 8.343 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.994 6.934 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.106 7.036 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.895 8.480 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.964 8.542 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.321 8.053 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.148 8.130 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.299 9.561 1.179 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.227 11.460 5.291 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.993 11.995 6.627 1.00 0.00 C ATOM 1474 C HIS A 95 -3.981 10.876 7.662 1.00 0.00 C ATOM 1475 O HIS A 95 -3.249 10.936 8.649 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.066 13.025 6.982 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.796 13.754 8.261 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.586 14.353 8.543 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -5.586 13.983 9.336 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.644 14.916 9.738 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -4.846 14.707 10.238 1.00 0.00 N ATOM 0 H HIS A 95 -5.068 11.814 4.836 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.018 12.483 6.633 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.146 13.749 6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.030 12.522 7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.608 13.657 9.461 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.843 15.455 10.222 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.173 15.031 11.148 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.797 9.853 7.426 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.883 8.716 8.333 1.00 0.00 C ATOM 1492 C ALA A 96 -5.199 7.433 7.572 1.00 0.00 C ATOM 1493 O ALA A 96 -6.245 7.322 6.932 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.934 8.972 9.402 1.00 0.00 C ATOM 0 H ALA A 96 -5.409 9.789 6.612 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.914 8.592 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.987 8.114 10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.665 9.862 9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.904 9.124 8.929 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.289 6.468 7.644 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.472 5.194 6.958 1.00 0.00 C ATOM 1502 C PHE A 97 -4.398 4.030 7.941 1.00 0.00 C ATOM 1503 O PHE A 97 -3.499 3.968 8.780 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.415 5.022 5.866 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.676 3.854 4.958 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.244 2.583 5.302 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.352 4.027 3.761 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.482 1.506 4.469 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.593 2.954 2.924 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.158 1.692 3.278 1.00 0.00 C ATOM 0 H PHE A 97 -3.418 6.543 8.170 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.461 5.196 6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.369 5.933 5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.438 4.898 6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.715 2.432 6.232 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.695 5.012 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.140 0.520 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.121 3.102 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.346 0.852 2.625 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.347 3.108 7.828 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.390 1.943 8.703 1.00 0.00 C ATOM 1522 C GLU A 98 -5.798 0.696 7.925 1.00 0.00 C ATOM 1523 O GLU A 98 -6.883 0.641 7.346 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.368 2.180 9.856 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.404 1.045 10.867 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.383 1.216 11.973 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -4.238 0.745 11.803 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -5.726 1.820 13.011 1.00 0.00 O ATOM 0 H GLU A 98 -6.098 3.145 7.138 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.391 1.787 9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.096 3.103 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.369 2.324 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.401 0.984 11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.223 0.101 10.354 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.921 -0.303 7.914 1.00 0.00 N ATOM 1536 CA GLN A 99 -5.190 -1.548 7.204 1.00 0.00 C ATOM 1537 C GLN A 99 -5.010 -2.750 8.125 1.00 0.00 C ATOM 1538 O GLN A 99 -4.149 -2.750 9.004 1.00 0.00 O ATOM 1539 CB GLN A 99 -4.268 -1.677 5.991 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.790 -1.627 6.343 1.00 0.00 C ATOM 1541 CD GLN A 99 -2.170 -3.006 6.458 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -2.862 -4.019 6.367 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -0.858 -3.050 6.659 1.00 0.00 N ATOM 0 H GLN A 99 -4.019 -0.274 8.389 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.225 -1.526 6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.480 -2.617 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.493 -0.876 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.258 -1.056 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.663 -1.096 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.323 -2.184 6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.385 -3.950 6.744 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.828 -3.778 7.913 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.758 -4.989 8.722 1.00 0.00 C ATOM 1554 C LYS A 100 -5.574 -6.220 7.840 1.00 0.00 C ATOM 1555 O LYS A 100 -6.294 -6.408 6.860 1.00 0.00 O ATOM 1556 CB LYS A 100 -7.025 -5.137 9.567 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.769 -5.711 10.950 1.00 0.00 C ATOM 1558 CD LYS A 100 -6.566 -4.613 11.980 1.00 0.00 C ATOM 1559 CE LYS A 100 -6.451 -5.181 13.386 1.00 0.00 C ATOM 1560 NZ LYS A 100 -7.007 -4.252 14.408 1.00 0.00 N ATOM 0 H LYS A 100 -6.546 -3.795 7.188 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.896 -4.906 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.499 -4.161 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.730 -5.780 9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.610 -6.338 11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.888 -6.352 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.665 -4.049 11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.401 -3.913 11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.978 -6.134 13.437 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.404 -5.384 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.909 -4.676 15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.488 -3.351 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.013 -4.078 14.209 1.00 0.00 H new ATOM 1574 N THR A 101 -4.602 -7.056 8.195 1.00 0.00 N ATOM 1575 CA THR A 101 -4.323 -8.268 7.434 1.00 0.00 C ATOM 1576 C THR A 101 -4.459 -9.507 8.315 1.00 0.00 C ATOM 1577 O THR A 101 -3.840 -9.599 9.375 1.00 0.00 O ATOM 1578 CB THR A 101 -2.916 -8.206 6.837 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.944 -8.062 7.857 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.731 -7.064 5.862 1.00 0.00 C ATOM 0 H THR A 101 -3.996 -6.916 9.003 1.00 0.00 H new ATOM 0 HA THR A 101 -5.052 -8.336 6.626 1.00 0.00 H new ATOM 0 HB THR A 101 -2.788 -9.146 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.274 -8.472 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.712 -7.077 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.434 -7.173 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.914 -6.118 6.371 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.273 -10.458 7.867 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.489 -11.692 8.613 1.00 0.00 C ATOM 1590 C LEU A 102 -5.779 -12.855 7.669 1.00 0.00 C ATOM 1591 O LEU A 102 -5.942 -12.663 6.464 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.643 -11.518 9.603 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.222 -11.348 11.064 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.446 -11.252 11.964 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.328 -12.500 11.497 1.00 0.00 C ATOM 0 H LEU A 102 -5.793 -10.397 6.992 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.578 -11.918 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.229 -10.648 9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.300 -12.385 9.528 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.656 -10.421 11.155 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.128 -11.131 12.999 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.049 -10.394 11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.039 -12.162 11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.038 -12.364 12.539 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.869 -13.440 11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.436 -12.523 10.872 1.00 0.00 H new ATOM 1607 N THR A 103 -5.843 -14.061 8.225 1.00 0.00 N ATOM 1608 CA THR A 103 -6.113 -15.254 7.433 1.00 0.00 C ATOM 1609 C THR A 103 -7.607 -15.566 7.411 1.00 0.00 C ATOM 1610 O THR A 103 -8.345 -15.174 8.315 1.00 0.00 O ATOM 1611 CB THR A 103 -5.339 -16.448 7.992 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.583 -16.599 9.380 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.842 -16.336 7.799 1.00 0.00 C ATOM 0 H THR A 103 -5.711 -14.237 9.221 1.00 0.00 H new ATOM 0 HA THR A 103 -5.785 -15.064 6.411 1.00 0.00 H new ATOM 0 HB THR A 103 -5.697 -17.311 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.868 -17.136 9.781 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.354 -17.216 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.616 -16.269 6.735 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.476 -15.443 8.305 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.074 -16.281 6.372 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.489 -16.645 6.236 1.00 0.00 C ATOM 1623 C PRO A 104 -10.017 -17.383 7.461 1.00 0.00 C ATOM 1624 O PRO A 104 -11.057 -17.026 8.014 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.509 -17.564 5.010 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.293 -17.190 4.234 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.262 -16.788 5.251 1.00 0.00 C ATOM 0 HA PRO A 104 -10.125 -15.766 6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.484 -18.614 5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.415 -17.418 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.941 -18.028 3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.505 -16.370 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.643 -17.633 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.590 -16.023 4.862 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.291 -18.414 7.882 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.686 -19.205 9.043 1.00 0.00 C ATOM 1637 C GLU A 105 -9.781 -18.331 10.289 1.00 0.00 C ATOM 1638 O GLU A 105 -10.705 -18.474 11.090 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.686 -20.340 9.277 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.307 -21.578 9.901 1.00 0.00 C ATOM 1641 CD GLU A 105 -8.643 -22.860 9.438 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -7.491 -22.792 8.959 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -9.273 -23.931 9.556 1.00 0.00 O ATOM 0 H GLU A 105 -8.426 -18.721 7.437 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.669 -19.631 8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.230 -20.613 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.885 -19.980 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.236 -21.508 10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.368 -21.612 9.653 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.820 -17.428 10.448 1.00 0.00 N ATOM 1651 CA GLN A 106 -8.796 -16.531 11.598 1.00 0.00 C ATOM 1652 C GLN A 106 -10.058 -15.676 11.649 1.00 0.00 C ATOM 1653 O GLN A 106 -10.704 -15.566 12.690 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.559 -15.632 11.545 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.296 -16.303 12.058 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.331 -16.546 13.554 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.961 -15.798 14.301 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -5.650 -17.596 13.999 1.00 0.00 N ATOM 0 H GLN A 106 -8.047 -17.297 9.795 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.755 -17.141 12.501 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.397 -15.311 10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.748 -14.734 12.133 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.159 -17.254 11.542 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.434 -15.681 11.815 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.142 -18.189 13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.635 -17.809 14.996 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.404 -15.074 10.516 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.589 -14.230 10.430 1.00 0.00 C ATOM 1669 C TRP A 107 -12.862 -15.058 10.583 1.00 0.00 C ATOM 1670 O TRP A 107 -13.780 -14.675 11.308 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.612 -13.476 9.101 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.055 -12.055 9.240 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.323 -11.576 9.094 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.234 -10.927 9.563 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.342 -10.217 9.298 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.071 -9.796 9.589 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -9.873 -10.765 9.831 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.589 -8.520 9.871 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.395 -9.499 10.112 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.252 -8.390 10.131 1.00 0.00 C ATOM 0 H TRP A 107 -9.880 -15.155 9.645 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.548 -13.508 11.246 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.615 -13.498 8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.278 -13.992 8.409 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.187 -12.177 8.853 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.167 -9.620 9.242 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.206 -11.614 9.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.247 -7.664 9.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.344 -9.362 10.320 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -9.849 -7.413 10.355 1.00 0.00 H new ATOM 1691 N THR A 108 -12.910 -16.194 9.895 1.00 0.00 N ATOM 1692 CA THR A 108 -14.069 -17.075 9.955 1.00 0.00 C ATOM 1693 C THR A 108 -14.230 -17.666 11.351 1.00 0.00 C ATOM 1694 O THR A 108 -15.346 -17.930 11.800 1.00 0.00 O ATOM 1695 CB THR A 108 -13.936 -18.198 8.925 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.431 -17.697 7.700 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.246 -18.896 8.630 1.00 0.00 C ATOM 0 H THR A 108 -12.159 -16.526 9.289 1.00 0.00 H new ATOM 0 HA THR A 108 -14.956 -16.484 9.725 1.00 0.00 H new ATOM 0 HB THR A 108 -13.250 -18.919 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.475 -17.903 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.082 -19.681 7.892 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.638 -19.336 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.963 -18.174 8.238 1.00 0.00 H new