USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 531 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 Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.447 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0246 (180deg=-0.301) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00472) USER MOD Single : A 57 GLN : amide:sc= -6.59! C(o=-6.6!,f=-11!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.38! C(o=-1.4!,f=-7.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 81 LYS NZ :NH3+ -125:sc= -0.056 (180deg=-2!) USER MOD Single : A 85 SER OG : rot -34:sc= 0.0108 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.0968 (180deg=-0.594) USER MOD Single : A 95 THR OG1 : rot -106:sc= 0.704 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 8.817 -11.073 -6.289 1.00 0.00 N ATOM 403 CA ASP A 30 8.986 -10.356 -4.994 1.00 0.00 C ATOM 404 C ASP A 30 7.663 -9.696 -4.601 1.00 0.00 C ATOM 405 O ASP A 30 7.404 -8.556 -4.928 1.00 0.00 O ATOM 406 CB ASP A 30 10.074 -9.290 -5.153 1.00 0.00 C ATOM 407 CG ASP A 30 11.440 -9.975 -5.241 1.00 0.00 C ATOM 408 OD1 ASP A 30 11.510 -11.155 -4.939 1.00 0.00 O ATOM 409 OD2 ASP A 30 12.393 -9.310 -5.613 1.00 0.00 O ATOM 0 HA ASP A 30 9.278 -11.060 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.892 -8.698 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.052 -8.602 -4.308 1.00 0.00 H new ATOM 414 N VAL A 31 6.823 -10.409 -3.902 1.00 0.00 N ATOM 415 CA VAL A 31 5.510 -9.834 -3.489 1.00 0.00 C ATOM 416 C VAL A 31 5.676 -9.066 -2.179 1.00 0.00 C ATOM 417 O VAL A 31 6.633 -9.252 -1.456 1.00 0.00 O ATOM 418 CB VAL A 31 4.502 -10.970 -3.293 1.00 0.00 C ATOM 419 CG1 VAL A 31 4.900 -11.808 -2.076 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.107 -10.388 -3.067 1.00 0.00 C ATOM 0 H VAL A 31 6.989 -11.368 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 31 5.150 -9.154 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 31 4.496 -11.598 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.181 -12.615 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.893 -12.229 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.910 -11.177 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.392 -11.199 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.116 -9.756 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.816 -9.793 -3.933 1.00 0.00 H new ATOM 430 N ALA A 32 4.748 -8.202 -1.867 1.00 0.00 N ATOM 431 CA ALA A 32 4.845 -7.419 -0.599 1.00 0.00 C ATOM 432 C ALA A 32 3.446 -7.237 -0.019 1.00 0.00 C ATOM 433 O ALA A 32 2.497 -6.992 -0.734 1.00 0.00 O ATOM 434 CB ALA A 32 5.459 -6.051 -0.897 1.00 0.00 C ATOM 0 H ALA A 32 3.925 -8.004 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 32 5.472 -7.948 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.532 -5.476 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.454 -6.184 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.829 -5.517 -1.609 1.00 0.00 H new ATOM 440 N GLU A 33 3.311 -7.354 1.275 1.00 0.00 N ATOM 441 CA GLU A 33 1.972 -7.189 1.917 1.00 0.00 C ATOM 442 C GLU A 33 1.883 -5.799 2.537 1.00 0.00 C ATOM 443 O GLU A 33 2.844 -5.291 3.074 1.00 0.00 O ATOM 444 CB GLU A 33 1.807 -8.244 3.012 1.00 0.00 C ATOM 445 CG GLU A 33 0.422 -8.112 3.648 1.00 0.00 C ATOM 446 CD GLU A 33 0.229 -9.226 4.678 1.00 0.00 C ATOM 447 OE1 GLU A 33 1.208 -9.873 5.011 1.00 0.00 O ATOM 448 OE2 GLU A 33 -0.894 -9.414 5.114 1.00 0.00 O ATOM 0 H GLU A 33 4.075 -7.558 1.920 1.00 0.00 H new ATOM 0 HA GLU A 33 1.186 -7.309 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.931 -9.242 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.580 -8.119 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.320 -7.138 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.350 -8.173 2.881 1.00 0.00 H new ATOM 455 N VAL A 34 0.730 -5.180 2.469 1.00 0.00 N ATOM 456 CA VAL A 34 0.558 -3.814 3.057 1.00 0.00 C ATOM 457 C VAL A 34 -0.573 -3.856 4.085 1.00 0.00 C ATOM 458 O VAL A 34 -1.644 -4.367 3.826 1.00 0.00 O ATOM 459 CB VAL A 34 0.205 -2.826 1.939 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.243 -1.490 2.542 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.439 -2.600 1.063 1.00 0.00 C ATOM 0 H VAL A 34 -0.106 -5.565 2.028 1.00 0.00 H new ATOM 0 HA VAL A 34 1.481 -3.495 3.542 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.607 -3.235 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.492 -0.794 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.120 -1.650 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.564 -1.075 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.195 -1.898 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.247 -2.193 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.755 -3.548 0.628 1.00 0.00 H new ATOM 471 N SER A 35 -0.331 -3.315 5.251 1.00 0.00 N ATOM 472 CA SER A 35 -1.369 -3.301 6.325 1.00 0.00 C ATOM 473 C SER A 35 -1.832 -1.862 6.538 1.00 0.00 C ATOM 474 O SER A 35 -1.036 -0.985 6.802 1.00 0.00 O ATOM 475 CB SER A 35 -0.756 -3.832 7.620 1.00 0.00 C ATOM 476 OG SER A 35 -0.568 -5.236 7.508 1.00 0.00 O ATOM 0 H SER A 35 0.553 -2.877 5.508 1.00 0.00 H new ATOM 0 HA SER A 35 -2.215 -3.926 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.197 -3.340 7.813 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.408 -3.607 8.464 1.00 0.00 H new ATOM 0 HG SER A 35 -0.173 -5.580 8.336 1.00 0.00 H new ATOM 482 N LEU A 36 -3.110 -1.610 6.411 1.00 0.00 N ATOM 483 CA LEU A 36 -3.640 -0.222 6.592 1.00 0.00 C ATOM 484 C LEU A 36 -4.636 -0.200 7.746 1.00 0.00 C ATOM 485 O LEU A 36 -5.305 -1.174 8.022 1.00 0.00 O ATOM 486 CB LEU A 36 -4.337 0.208 5.299 1.00 0.00 C ATOM 487 CG LEU A 36 -3.286 0.571 4.234 1.00 0.00 C ATOM 488 CD1 LEU A 36 -3.922 0.502 2.845 1.00 0.00 C ATOM 489 CD2 LEU A 36 -2.763 1.999 4.461 1.00 0.00 C ATOM 0 H LEU A 36 -3.816 -2.312 6.188 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.823 0.463 6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.975 -0.597 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.984 1.064 5.491 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.459 -0.135 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.178 0.759 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.289 -0.508 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.753 1.206 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.021 2.240 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.591 2.704 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.305 2.066 5.448 1.00 0.00 H new ATOM 501 N PHE A 37 -4.725 0.912 8.431 1.00 0.00 N ATOM 502 CA PHE A 37 -5.662 1.028 9.588 1.00 0.00 C ATOM 503 C PHE A 37 -6.517 2.280 9.414 1.00 0.00 C ATOM 504 O PHE A 37 -6.080 3.272 8.868 1.00 0.00 O ATOM 505 CB PHE A 37 -4.846 1.146 10.872 1.00 0.00 C ATOM 506 CG PHE A 37 -4.030 -0.109 11.056 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.636 -1.267 11.555 1.00 0.00 C ATOM 508 CD2 PHE A 37 -2.668 -0.116 10.726 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.881 -2.433 11.727 1.00 0.00 C ATOM 510 CE2 PHE A 37 -1.914 -1.282 10.896 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.519 -2.440 11.398 1.00 0.00 C ATOM 0 H PHE A 37 -4.182 1.753 8.235 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.306 0.150 9.639 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.191 2.016 10.823 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.508 1.293 11.726 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.686 -1.261 11.807 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.201 0.778 10.341 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.348 -3.327 12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.865 -1.289 10.640 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.936 -3.339 11.532 1.00 0.00 H new ATOM 521 N GLY A 38 -7.736 2.245 9.870 1.00 0.00 N ATOM 522 CA GLY A 38 -8.612 3.438 9.723 1.00 0.00 C ATOM 523 C GLY A 38 -9.962 3.163 10.383 1.00 0.00 C ATOM 524 O GLY A 38 -10.183 2.118 10.960 1.00 0.00 O ATOM 0 H GLY A 38 -8.163 1.445 10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.141 4.307 10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.752 3.672 8.668 1.00 0.00 H new ATOM 528 N SER A 39 -10.867 4.098 10.301 1.00 0.00 N ATOM 529 CA SER A 39 -12.206 3.902 10.922 1.00 0.00 C ATOM 530 C SER A 39 -13.138 3.201 9.934 1.00 0.00 C ATOM 531 O SER A 39 -13.339 2.006 9.995 1.00 0.00 O ATOM 532 CB SER A 39 -12.790 5.268 11.274 1.00 0.00 C ATOM 533 OG SER A 39 -12.605 6.149 10.173 1.00 0.00 O ATOM 0 H SER A 39 -10.736 4.993 9.829 1.00 0.00 H new ATOM 0 HA SER A 39 -12.106 3.291 11.819 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.851 5.175 11.508 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.302 5.668 12.163 1.00 0.00 H new ATOM 0 HG SER A 39 -12.979 7.028 10.391 1.00 0.00 H new ATOM 539 N ASP A 40 -13.716 3.945 9.027 1.00 0.00 N ATOM 540 CA ASP A 40 -14.650 3.335 8.034 1.00 0.00 C ATOM 541 C ASP A 40 -13.877 2.835 6.812 1.00 0.00 C ATOM 542 O ASP A 40 -12.713 3.133 6.631 1.00 0.00 O ATOM 543 CB ASP A 40 -15.673 4.382 7.593 1.00 0.00 C ATOM 544 CG ASP A 40 -14.953 5.564 6.944 1.00 0.00 C ATOM 545 OD1 ASP A 40 -13.765 5.446 6.692 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.602 6.571 6.711 1.00 0.00 O ATOM 0 H ASP A 40 -13.581 4.951 8.931 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.158 2.491 8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.378 3.941 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.252 4.723 8.451 1.00 0.00 H new ATOM 551 N LYS A 41 -14.528 2.078 5.974 1.00 0.00 N ATOM 552 CA LYS A 41 -13.864 1.543 4.752 1.00 0.00 C ATOM 553 C LYS A 41 -13.506 2.690 3.799 1.00 0.00 C ATOM 554 O LYS A 41 -12.488 2.662 3.136 1.00 0.00 O ATOM 555 CB LYS A 41 -14.818 0.576 4.052 1.00 0.00 C ATOM 556 CG LYS A 41 -14.105 -0.086 2.874 1.00 0.00 C ATOM 557 CD LYS A 41 -15.039 -1.105 2.222 1.00 0.00 C ATOM 558 CE LYS A 41 -14.319 -1.780 1.054 1.00 0.00 C ATOM 559 NZ LYS A 41 -15.215 -2.797 0.437 1.00 0.00 N ATOM 0 H LYS A 41 -15.504 1.804 6.085 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.948 1.024 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.162 -0.183 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.701 1.110 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.806 0.668 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.194 -0.578 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.348 -1.852 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.944 -0.611 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.031 -1.036 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.401 -2.253 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.725 -3.256 -0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.468 -3.513 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.079 -2.334 0.089 1.00 0.00 H new ATOM 573 N ALA A 42 -14.341 3.689 3.716 1.00 0.00 N ATOM 574 CA ALA A 42 -14.062 4.827 2.793 1.00 0.00 C ATOM 575 C ALA A 42 -12.712 5.463 3.133 1.00 0.00 C ATOM 576 O ALA A 42 -11.943 5.806 2.259 1.00 0.00 O ATOM 577 CB ALA A 42 -15.164 5.875 2.944 1.00 0.00 C ATOM 0 H ALA A 42 -15.207 3.767 4.249 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.034 4.458 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.966 6.710 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.127 5.429 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.186 6.234 3.973 1.00 0.00 H new ATOM 583 N HIS A 43 -12.418 5.625 4.391 1.00 0.00 N ATOM 584 CA HIS A 43 -11.120 6.243 4.780 1.00 0.00 C ATOM 585 C HIS A 43 -9.970 5.349 4.311 1.00 0.00 C ATOM 586 O HIS A 43 -8.967 5.819 3.812 1.00 0.00 O ATOM 587 CB HIS A 43 -11.070 6.384 6.301 1.00 0.00 C ATOM 588 CG HIS A 43 -9.811 7.099 6.701 1.00 0.00 C ATOM 589 ND1 HIS A 43 -9.663 8.470 6.563 1.00 0.00 N ATOM 590 CD2 HIS A 43 -8.633 6.648 7.243 1.00 0.00 C ATOM 591 CE1 HIS A 43 -8.436 8.793 7.012 1.00 0.00 C ATOM 592 NE2 HIS A 43 -7.766 7.718 7.439 1.00 0.00 N ATOM 0 H HIS A 43 -13.021 5.356 5.169 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.025 7.225 4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.941 6.936 6.654 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.105 5.400 6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.413 5.618 7.481 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.041 9.798 7.026 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.822 7.689 7.825 1.00 0.00 H new ATOM 600 N LEU A 44 -10.109 4.063 4.474 1.00 0.00 N ATOM 601 CA LEU A 44 -9.031 3.127 4.050 1.00 0.00 C ATOM 602 C LEU A 44 -8.839 3.209 2.534 1.00 0.00 C ATOM 603 O LEU A 44 -7.730 3.184 2.038 1.00 0.00 O ATOM 604 CB LEU A 44 -9.430 1.701 4.440 1.00 0.00 C ATOM 605 CG LEU A 44 -9.434 1.560 5.970 1.00 0.00 C ATOM 606 CD1 LEU A 44 -10.044 0.206 6.345 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.999 1.662 6.530 1.00 0.00 C ATOM 0 H LEU A 44 -10.929 3.617 4.886 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.096 3.398 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.418 1.469 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.733 0.986 4.002 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.027 2.367 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.051 0.098 7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.065 0.150 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.451 -0.595 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.024 1.560 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.385 0.868 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.574 2.630 6.266 1.00 0.00 H new ATOM 619 N GLU A 45 -9.909 3.301 1.794 1.00 0.00 N ATOM 620 CA GLU A 45 -9.789 3.376 0.313 1.00 0.00 C ATOM 621 C GLU A 45 -9.029 4.645 -0.081 1.00 0.00 C ATOM 622 O GLU A 45 -8.220 4.636 -0.987 1.00 0.00 O ATOM 623 CB GLU A 45 -11.189 3.411 -0.301 1.00 0.00 C ATOM 624 CG GLU A 45 -11.880 2.065 -0.069 1.00 0.00 C ATOM 625 CD GLU A 45 -13.306 2.127 -0.616 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.956 3.138 -0.407 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.726 1.161 -1.233 1.00 0.00 O ATOM 0 H GLU A 45 -10.863 3.327 2.153 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.246 2.505 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.774 4.214 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.125 3.620 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.324 1.268 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.897 1.831 0.995 1.00 0.00 H new ATOM 634 N GLY A 46 -9.280 5.739 0.587 1.00 0.00 N ATOM 635 CA GLY A 46 -8.567 7.000 0.237 1.00 0.00 C ATOM 636 C GLY A 46 -7.073 6.843 0.523 1.00 0.00 C ATOM 637 O GLY A 46 -6.237 7.209 -0.279 1.00 0.00 O ATOM 0 H GLY A 46 -9.945 5.813 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.723 7.237 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.972 7.831 0.814 1.00 0.00 H new ATOM 641 N LYS A 47 -6.730 6.296 1.657 1.00 0.00 N ATOM 642 CA LYS A 47 -5.292 6.111 1.997 1.00 0.00 C ATOM 643 C LYS A 47 -4.665 5.120 1.014 1.00 0.00 C ATOM 644 O LYS A 47 -3.518 5.248 0.631 1.00 0.00 O ATOM 645 CB LYS A 47 -5.180 5.566 3.426 1.00 0.00 C ATOM 646 CG LYS A 47 -3.752 5.765 3.964 1.00 0.00 C ATOM 647 CD LYS A 47 -3.604 7.162 4.582 1.00 0.00 C ATOM 648 CE LYS A 47 -2.166 7.353 5.066 1.00 0.00 C ATOM 649 NZ LYS A 47 -1.908 6.442 6.217 1.00 0.00 N ATOM 0 H LYS A 47 -7.387 5.968 2.365 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.768 7.065 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.894 6.075 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.437 4.507 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.529 5.004 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.031 5.639 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.856 7.926 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.298 7.279 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.467 7.142 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.005 8.389 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.059 6.759 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.724 6.457 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.761 5.474 5.867 1.00 0.00 H new ATOM 663 N LEU A 48 -5.409 4.129 0.608 1.00 0.00 N ATOM 664 CA LEU A 48 -4.867 3.121 -0.343 1.00 0.00 C ATOM 665 C LEU A 48 -4.489 3.813 -1.654 1.00 0.00 C ATOM 666 O LEU A 48 -3.487 3.501 -2.268 1.00 0.00 O ATOM 667 CB LEU A 48 -5.935 2.054 -0.608 1.00 0.00 C ATOM 668 CG LEU A 48 -5.389 0.969 -1.549 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.199 0.242 -0.898 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.509 -0.032 -1.848 1.00 0.00 C ATOM 0 H LEU A 48 -6.375 3.974 0.896 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.981 2.649 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.249 1.603 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.818 2.516 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.044 1.431 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.824 -0.523 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.406 0.959 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.523 -0.226 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.135 -0.808 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.849 -0.487 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.342 0.485 -2.324 1.00 0.00 H new ATOM 682 N ALA A 49 -5.287 4.746 -2.089 1.00 0.00 N ATOM 683 CA ALA A 49 -4.986 5.456 -3.362 1.00 0.00 C ATOM 684 C ALA A 49 -3.571 6.035 -3.311 1.00 0.00 C ATOM 685 O ALA A 49 -2.882 6.098 -4.310 1.00 0.00 O ATOM 686 CB ALA A 49 -5.996 6.589 -3.550 1.00 0.00 C ATOM 0 H ALA A 49 -6.138 5.049 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.054 4.757 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.783 7.115 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.004 6.175 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.922 7.285 -2.714 1.00 0.00 H new ATOM 692 N GLU A 50 -3.131 6.457 -2.159 1.00 0.00 N ATOM 693 CA GLU A 50 -1.760 7.032 -2.046 1.00 0.00 C ATOM 694 C GLU A 50 -0.720 5.949 -2.342 1.00 0.00 C ATOM 695 O GLU A 50 0.269 6.187 -3.006 1.00 0.00 O ATOM 696 CB GLU A 50 -1.549 7.546 -0.618 1.00 0.00 C ATOM 697 CG GLU A 50 -2.529 8.685 -0.325 1.00 0.00 C ATOM 698 CD GLU A 50 -2.215 9.882 -1.224 1.00 0.00 C ATOM 699 OE1 GLU A 50 -1.113 9.936 -1.744 1.00 0.00 O ATOM 700 OE2 GLU A 50 -3.088 10.720 -1.385 1.00 0.00 O ATOM 0 H GLU A 50 -3.662 6.429 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.650 7.848 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.696 6.735 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.524 7.896 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.552 8.350 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.459 8.977 0.723 1.00 0.00 H new ATOM 707 N TYR A 51 -0.940 4.763 -1.850 1.00 0.00 N ATOM 708 CA TYR A 51 0.027 3.653 -2.084 1.00 0.00 C ATOM 709 C TYR A 51 0.147 3.387 -3.584 1.00 0.00 C ATOM 710 O TYR A 51 1.218 3.127 -4.094 1.00 0.00 O ATOM 711 CB TYR A 51 -0.490 2.392 -1.375 1.00 0.00 C ATOM 712 CG TYR A 51 -0.173 2.469 0.105 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.713 3.501 0.885 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.663 1.512 0.697 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.418 3.575 2.250 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.956 1.586 2.063 1.00 0.00 C ATOM 717 CZ TYR A 51 0.414 2.618 2.840 1.00 0.00 C ATOM 718 OH TYR A 51 0.703 2.691 4.188 1.00 0.00 O ATOM 0 H TYR A 51 -1.755 4.512 -1.291 1.00 0.00 H new ATOM 0 HA TYR A 51 1.007 3.924 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.566 2.297 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.029 1.505 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.357 4.240 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.081 0.717 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.833 4.372 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.600 0.848 2.518 1.00 0.00 H new ATOM 0 HH TYR A 51 1.294 1.949 4.437 1.00 0.00 H new ATOM 728 N ILE A 52 -0.944 3.442 -4.290 1.00 0.00 N ATOM 729 CA ILE A 52 -0.899 3.182 -5.753 1.00 0.00 C ATOM 730 C ILE A 52 -0.045 4.255 -6.437 1.00 0.00 C ATOM 731 O ILE A 52 0.758 3.959 -7.301 1.00 0.00 O ATOM 732 CB ILE A 52 -2.323 3.223 -6.309 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.224 2.287 -5.486 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.323 2.784 -7.776 1.00 0.00 C ATOM 735 CD1 ILE A 52 -2.626 0.876 -5.419 1.00 0.00 C ATOM 0 H ILE A 52 -1.868 3.657 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.460 2.202 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.705 4.242 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.344 2.684 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.217 2.245 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.341 2.816 -8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.691 3.456 -8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.937 1.767 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.280 0.231 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.529 0.474 -6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.643 0.919 -4.950 1.00 0.00 H new ATOM 747 N SER A 53 -0.212 5.496 -6.069 1.00 0.00 N ATOM 748 CA SER A 53 0.589 6.577 -6.715 1.00 0.00 C ATOM 749 C SER A 53 2.084 6.336 -6.483 1.00 0.00 C ATOM 750 O SER A 53 2.869 6.329 -7.409 1.00 0.00 O ATOM 751 CB SER A 53 0.197 7.920 -6.099 1.00 0.00 C ATOM 752 OG SER A 53 -1.175 8.175 -6.368 1.00 0.00 O ATOM 0 H SER A 53 -0.866 5.808 -5.351 1.00 0.00 H new ATOM 0 HA SER A 53 0.391 6.580 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.372 7.905 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.815 8.717 -6.512 1.00 0.00 H new ATOM 0 HG SER A 53 -1.431 9.035 -5.973 1.00 0.00 H new ATOM 758 N LEU A 54 2.484 6.133 -5.256 1.00 0.00 N ATOM 759 CA LEU A 54 3.926 5.888 -4.968 1.00 0.00 C ATOM 760 C LEU A 54 4.357 4.569 -5.614 1.00 0.00 C ATOM 761 O LEU A 54 5.426 4.462 -6.179 1.00 0.00 O ATOM 762 CB LEU A 54 4.136 5.824 -3.446 1.00 0.00 C ATOM 763 CG LEU A 54 4.291 7.241 -2.876 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.070 8.088 -3.244 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.413 7.162 -1.353 1.00 0.00 C ATOM 0 H LEU A 54 1.873 6.126 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 54 4.528 6.698 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.290 5.324 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.023 5.233 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 54 5.186 7.701 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.187 9.092 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.980 8.145 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.172 7.631 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.523 8.166 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.517 6.698 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.286 6.565 -1.088 1.00 0.00 H new ATOM 777 N ALA A 55 3.532 3.563 -5.530 1.00 0.00 N ATOM 778 CA ALA A 55 3.891 2.250 -6.130 1.00 0.00 C ATOM 779 C ALA A 55 3.999 2.389 -7.652 1.00 0.00 C ATOM 780 O ALA A 55 4.867 1.812 -8.274 1.00 0.00 O ATOM 781 CB ALA A 55 2.808 1.229 -5.779 1.00 0.00 C ATOM 0 H ALA A 55 2.622 3.595 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 55 4.851 1.916 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.063 0.263 -6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.738 1.131 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.850 1.564 -6.176 1.00 0.00 H new ATOM 787 N LYS A 56 3.124 3.146 -8.255 1.00 0.00 N ATOM 788 CA LYS A 56 3.176 3.319 -9.728 1.00 0.00 C ATOM 789 C LYS A 56 4.479 4.021 -10.111 1.00 0.00 C ATOM 790 O LYS A 56 5.157 3.632 -11.042 1.00 0.00 O ATOM 791 CB LYS A 56 1.988 4.176 -10.163 1.00 0.00 C ATOM 792 CG LYS A 56 1.955 4.256 -11.683 1.00 0.00 C ATOM 793 CD LYS A 56 0.746 5.082 -12.130 1.00 0.00 C ATOM 794 CE LYS A 56 0.700 5.151 -13.660 1.00 0.00 C ATOM 795 NZ LYS A 56 0.148 3.877 -14.202 1.00 0.00 N ATOM 0 H LYS A 56 2.373 3.653 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 56 3.133 2.347 -10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.059 3.746 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.070 5.176 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.874 4.710 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.900 3.254 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.172 4.634 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.807 6.087 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.082 5.991 -13.978 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.701 5.323 -14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.070 3.945 -15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.781 3.091 -13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.793 3.705 -13.795 1.00 0.00 H new ATOM 809 N GLN A 57 4.831 5.057 -9.399 1.00 0.00 N ATOM 810 CA GLN A 57 6.084 5.796 -9.711 1.00 0.00 C ATOM 811 C GLN A 57 7.290 4.890 -9.451 1.00 0.00 C ATOM 812 O GLN A 57 8.218 4.837 -10.232 1.00 0.00 O ATOM 813 CB GLN A 57 6.164 7.041 -8.811 1.00 0.00 C ATOM 814 CG GLN A 57 5.341 8.183 -9.420 1.00 0.00 C ATOM 815 CD GLN A 57 3.892 7.731 -9.618 1.00 0.00 C ATOM 816 OE1 GLN A 57 3.614 6.869 -10.429 1.00 0.00 O ATOM 817 NE2 GLN A 57 2.947 8.285 -8.906 1.00 0.00 N ATOM 0 H GLN A 57 4.300 5.424 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 57 6.086 6.099 -10.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.791 6.804 -7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.203 7.351 -8.697 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.373 9.055 -8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.771 8.484 -10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.179 9.008 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.977 7.994 -9.031 1.00 0.00 H new ATOM 826 N VAL A 58 7.285 4.180 -8.357 1.00 0.00 N ATOM 827 CA VAL A 58 8.430 3.284 -8.046 1.00 0.00 C ATOM 828 C VAL A 58 8.530 2.196 -9.115 1.00 0.00 C ATOM 829 O VAL A 58 9.599 1.898 -9.609 1.00 0.00 O ATOM 830 CB VAL A 58 8.210 2.637 -6.676 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.256 1.542 -6.441 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.336 3.705 -5.584 1.00 0.00 C ATOM 0 H VAL A 58 6.536 4.183 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 58 9.353 3.863 -8.031 1.00 0.00 H new ATOM 0 HB VAL A 58 7.215 2.193 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.093 1.087 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.166 0.781 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.254 1.979 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.180 3.247 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.331 4.148 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.587 4.480 -5.745 1.00 0.00 H new ATOM 842 N TYR A 59 7.424 1.591 -9.469 1.00 0.00 N ATOM 843 CA TYR A 59 7.449 0.510 -10.500 1.00 0.00 C ATOM 844 C TYR A 59 6.261 0.681 -11.452 1.00 0.00 C ATOM 845 O TYR A 59 5.115 0.643 -11.052 1.00 0.00 O ATOM 846 CB TYR A 59 7.368 -0.845 -9.798 1.00 0.00 C ATOM 847 CG TYR A 59 7.428 -1.945 -10.829 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.606 -2.160 -11.552 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.305 -2.743 -11.069 1.00 0.00 C ATOM 850 CE1 TYR A 59 8.661 -3.175 -12.512 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.358 -3.757 -12.029 1.00 0.00 C ATOM 852 CZ TYR A 59 7.537 -3.973 -12.752 1.00 0.00 C ATOM 853 OH TYR A 59 7.590 -4.974 -13.699 1.00 0.00 O ATOM 0 H TYR A 59 6.502 1.800 -9.087 1.00 0.00 H new ATOM 0 HA TYR A 59 8.372 0.566 -11.077 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.189 -0.950 -9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.443 -0.917 -9.226 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.473 -1.542 -11.369 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.395 -2.575 -10.512 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.571 -3.343 -13.068 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.490 -4.373 -12.213 1.00 0.00 H new ATOM 0 HH TYR A 59 6.725 -5.433 -13.739 1.00 0.00 H new ATOM 863 N ALA A 60 6.538 0.878 -12.709 1.00 0.00 N ATOM 864 CA ALA A 60 5.447 1.067 -13.710 1.00 0.00 C ATOM 865 C ALA A 60 4.683 -0.243 -13.926 1.00 0.00 C ATOM 866 O ALA A 60 5.214 -1.318 -13.734 1.00 0.00 O ATOM 867 CB ALA A 60 6.061 1.524 -15.033 1.00 0.00 C ATOM 0 H ALA A 60 7.483 0.917 -13.092 1.00 0.00 H new ATOM 0 HA ALA A 60 4.749 1.818 -13.340 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.271 1.665 -15.771 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.590 2.465 -14.883 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.761 0.768 -15.390 1.00 0.00 H new ATOM 873 N ASN A 61 3.436 -0.150 -14.321 1.00 0.00 N ATOM 874 CA ASN A 61 2.612 -1.373 -14.560 1.00 0.00 C ATOM 875 C ASN A 61 2.560 -2.216 -13.285 1.00 0.00 C ATOM 876 O ASN A 61 2.561 -3.430 -13.330 1.00 0.00 O ATOM 877 CB ASN A 61 3.207 -2.192 -15.715 1.00 0.00 C ATOM 878 CG ASN A 61 3.014 -1.426 -17.027 1.00 0.00 C ATOM 879 OD1 ASN A 61 2.162 -0.563 -17.118 1.00 0.00 O ATOM 880 ND2 ASN A 61 3.775 -1.699 -18.052 1.00 0.00 N ATOM 0 H ASN A 61 2.951 0.731 -14.489 1.00 0.00 H new ATOM 0 HA ASN A 61 1.599 -1.075 -14.830 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.267 -2.374 -15.539 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.721 -3.166 -15.774 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.654 -1.189 -18.927 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.490 -2.422 -17.978 1.00 0.00 H new ATOM 887 N VAL A 62 2.511 -1.577 -12.148 1.00 0.00 N ATOM 888 CA VAL A 62 2.457 -2.334 -10.865 1.00 0.00 C ATOM 889 C VAL A 62 1.077 -2.968 -10.694 1.00 0.00 C ATOM 890 O VAL A 62 0.066 -2.361 -10.979 1.00 0.00 O ATOM 891 CB VAL A 62 2.734 -1.380 -9.698 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.601 -0.355 -9.587 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.821 -2.181 -8.399 1.00 0.00 C ATOM 0 H VAL A 62 2.506 -0.562 -12.052 1.00 0.00 H new ATOM 0 HA VAL A 62 3.211 -3.121 -10.879 1.00 0.00 H new ATOM 0 HB VAL A 62 3.675 -0.859 -9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.802 0.321 -8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.536 0.217 -10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.658 -0.873 -9.413 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.018 -1.505 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.878 -2.701 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.629 -2.909 -8.474 1.00 0.00 H new ATOM 903 N GLU A 63 1.034 -4.194 -10.228 1.00 0.00 N ATOM 904 CA GLU A 63 -0.272 -4.899 -10.029 1.00 0.00 C ATOM 905 C GLU A 63 -0.475 -5.177 -8.538 1.00 0.00 C ATOM 906 O GLU A 63 0.456 -5.495 -7.824 1.00 0.00 O ATOM 907 CB GLU A 63 -0.249 -6.229 -10.787 1.00 0.00 C ATOM 908 CG GLU A 63 -1.607 -6.919 -10.646 1.00 0.00 C ATOM 909 CD GLU A 63 -1.614 -8.208 -11.469 1.00 0.00 C ATOM 910 OE1 GLU A 63 -0.549 -8.621 -11.896 1.00 0.00 O ATOM 911 OE2 GLU A 63 -2.685 -8.759 -11.660 1.00 0.00 O ATOM 0 H GLU A 63 1.857 -4.741 -9.975 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.084 -4.275 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.024 -6.056 -11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.540 -6.871 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.805 -7.143 -9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.401 -6.254 -10.986 1.00 0.00 H new ATOM 918 N TYR A 64 -1.687 -5.058 -8.063 1.00 0.00 N ATOM 919 CA TYR A 64 -1.954 -5.312 -6.616 1.00 0.00 C ATOM 920 C TYR A 64 -3.364 -5.879 -6.448 1.00 0.00 C ATOM 921 O TYR A 64 -4.201 -5.757 -7.318 1.00 0.00 O ATOM 922 CB TYR A 64 -1.838 -4.002 -5.837 1.00 0.00 C ATOM 923 CG TYR A 64 -2.818 -2.987 -6.383 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.441 -2.147 -7.437 1.00 0.00 C ATOM 925 CD2 TYR A 64 -4.099 -2.879 -5.828 1.00 0.00 C ATOM 926 CE1 TYR A 64 -3.343 -1.200 -7.937 1.00 0.00 C ATOM 927 CE2 TYR A 64 -5.001 -1.930 -6.325 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.622 -1.091 -7.380 1.00 0.00 C ATOM 929 OH TYR A 64 -5.510 -0.153 -7.868 1.00 0.00 O ATOM 0 H TYR A 64 -2.504 -4.796 -8.615 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.226 -6.028 -6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.036 -4.179 -4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.822 -3.615 -5.910 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.453 -2.229 -7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.392 -3.528 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.052 -0.554 -8.752 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.988 -1.845 -5.895 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.353 -0.211 -7.371 1.00 0.00 H new ATOM 939 N GLU A 65 -3.631 -6.501 -5.330 1.00 0.00 N ATOM 940 CA GLU A 65 -4.988 -7.081 -5.091 1.00 0.00 C ATOM 941 C GLU A 65 -5.368 -6.850 -3.633 1.00 0.00 C ATOM 942 O GLU A 65 -4.524 -6.824 -2.761 1.00 0.00 O ATOM 943 CB GLU A 65 -4.959 -8.585 -5.391 1.00 0.00 C ATOM 944 CG GLU A 65 -6.362 -9.182 -5.236 1.00 0.00 C ATOM 945 CD GLU A 65 -7.269 -8.662 -6.350 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.758 -8.029 -7.259 1.00 0.00 O ATOM 947 OE2 GLU A 65 -8.462 -8.911 -6.282 1.00 0.00 O ATOM 0 H GLU A 65 -2.966 -6.633 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.721 -6.604 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.594 -8.754 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.266 -9.085 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.311 -10.270 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.776 -8.916 -4.263 1.00 0.00 H new ATOM 954 N VAL A 66 -6.637 -6.670 -3.367 1.00 0.00 N ATOM 955 CA VAL A 66 -7.098 -6.425 -1.966 1.00 0.00 C ATOM 956 C VAL A 66 -8.033 -7.548 -1.521 1.00 0.00 C ATOM 957 O VAL A 66 -8.977 -7.899 -2.200 1.00 0.00 O ATOM 958 CB VAL A 66 -7.827 -5.084 -1.904 1.00 0.00 C ATOM 959 CG1 VAL A 66 -6.832 -3.959 -2.192 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.954 -5.050 -2.939 1.00 0.00 C ATOM 0 H VAL A 66 -7.380 -6.682 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.237 -6.402 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.257 -4.952 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.346 -2.999 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.036 -3.978 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.404 -4.097 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.467 -4.090 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.536 -5.184 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.663 -5.852 -2.732 1.00 0.00 H new ATOM 970 N ALA A 67 -7.760 -8.119 -0.382 1.00 0.00 N ATOM 971 CA ALA A 67 -8.607 -9.233 0.130 1.00 0.00 C ATOM 972 C ALA A 67 -9.978 -8.683 0.562 1.00 0.00 C ATOM 973 O ALA A 67 -10.186 -7.486 0.590 1.00 0.00 O ATOM 974 CB ALA A 67 -7.891 -9.913 1.319 1.00 0.00 C ATOM 0 H ALA A 67 -6.980 -7.860 0.222 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.764 -9.972 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.507 -10.729 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.930 -10.307 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.730 -9.183 2.112 1.00 0.00 H new ATOM 980 N PRO A 68 -10.909 -9.551 0.885 1.00 0.00 N ATOM 981 CA PRO A 68 -12.278 -9.132 1.322 1.00 0.00 C ATOM 982 C PRO A 68 -12.239 -8.085 2.444 1.00 0.00 C ATOM 983 O PRO A 68 -11.565 -8.259 3.439 1.00 0.00 O ATOM 984 CB PRO A 68 -12.902 -10.441 1.837 1.00 0.00 C ATOM 985 CG PRO A 68 -12.192 -11.525 1.096 1.00 0.00 C ATOM 986 CD PRO A 68 -10.763 -11.021 0.882 1.00 0.00 C ATOM 0 HA PRO A 68 -12.837 -8.663 0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.768 -10.545 2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.975 -10.469 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.197 -12.455 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.680 -11.731 0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.096 -11.359 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.348 -11.381 -0.059 1.00 0.00 H new ATOM 994 N VAL A 69 -12.964 -7.003 2.289 1.00 0.00 N ATOM 995 CA VAL A 69 -12.987 -5.932 3.338 1.00 0.00 C ATOM 996 C VAL A 69 -14.438 -5.560 3.647 1.00 0.00 C ATOM 997 O VAL A 69 -15.245 -5.377 2.758 1.00 0.00 O ATOM 998 CB VAL A 69 -12.233 -4.700 2.825 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.474 -3.513 3.765 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.734 -5.013 2.770 1.00 0.00 C ATOM 0 H VAL A 69 -13.546 -6.814 1.473 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.505 -6.295 4.246 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.593 -4.444 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.935 -2.641 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.540 -3.291 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.118 -3.762 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.193 -4.140 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.379 -5.269 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.562 -5.853 2.097 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.772 -5.449 4.901 1.00 0.00 N ATOM 1011 CA ALA A 70 -16.170 -5.091 5.274 1.00 0.00 C ATOM 1012 C ALA A 70 -16.353 -3.571 5.213 1.00 0.00 C ATOM 1013 O ALA A 70 -15.404 -2.815 5.267 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.445 -5.578 6.695 1.00 0.00 C ATOM 0 H ALA A 70 -14.137 -5.591 5.686 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.864 -5.562 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.466 -5.320 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.318 -6.660 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.747 -5.102 7.384 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.575 -3.125 5.109 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.847 -1.660 5.053 1.00 0.00 C ATOM 1022 C ASP A 71 -17.423 -1.007 6.370 1.00 0.00 C ATOM 1023 O ASP A 71 -16.941 0.107 6.394 1.00 0.00 O ATOM 1024 CB ASP A 71 -19.346 -1.446 4.841 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.632 0.038 4.610 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -18.688 0.777 4.386 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -20.792 0.410 4.660 1.00 0.00 O ATOM 0 H ASP A 71 -18.404 -3.718 5.060 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.285 -1.212 4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.688 -2.029 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.899 -1.801 5.710 1.00 0.00 H new ATOM 1032 N ASN A 72 -17.606 -1.690 7.469 1.00 0.00 N ATOM 1033 CA ASN A 72 -17.222 -1.115 8.794 1.00 0.00 C ATOM 1034 C ASN A 72 -15.834 -1.628 9.183 1.00 0.00 C ATOM 1035 O ASN A 72 -15.435 -1.566 10.330 1.00 0.00 O ATOM 1036 CB ASN A 72 -18.246 -1.547 9.848 1.00 0.00 C ATOM 1037 CG ASN A 72 -18.229 -3.069 9.991 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -17.383 -3.735 9.427 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -19.134 -3.654 10.729 1.00 0.00 N ATOM 0 H ASN A 72 -18.007 -2.627 7.507 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.202 -0.027 8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.016 -1.080 10.805 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -19.242 -1.210 9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.130 -4.669 10.832 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -19.844 -3.096 11.203 1.00 0.00 H new ATOM 1046 N ALA A 73 -15.098 -2.139 8.233 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.736 -2.668 8.534 1.00 0.00 C ATOM 1048 C ALA A 73 -12.838 -1.545 9.061 1.00 0.00 C ATOM 1049 O ALA A 73 -12.924 -0.412 8.633 1.00 0.00 O ATOM 1050 CB ALA A 73 -13.123 -3.239 7.256 1.00 0.00 C ATOM 0 H ALA A 73 -15.383 -2.213 7.256 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.817 -3.448 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.127 -3.627 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.753 -4.045 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.051 -2.453 6.504 1.00 0.00 H new ATOM 1056 N THR A 74 -11.968 -1.862 9.987 1.00 0.00 N ATOM 1057 CA THR A 74 -11.045 -0.832 10.556 1.00 0.00 C ATOM 1058 C THR A 74 -9.659 -0.987 9.928 1.00 0.00 C ATOM 1059 O THR A 74 -8.758 -0.218 10.196 1.00 0.00 O ATOM 1060 CB THR A 74 -10.940 -1.033 12.069 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.358 -2.301 12.332 1.00 0.00 O ATOM 1062 CG2 THR A 74 -12.336 -0.968 12.692 1.00 0.00 C ATOM 0 H THR A 74 -11.857 -2.798 10.376 1.00 0.00 H new ATOM 0 HA THR A 74 -11.432 0.164 10.342 1.00 0.00 H new ATOM 0 HB THR A 74 -10.318 -0.249 12.501 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.287 -2.434 13.300 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.260 -1.111 13.770 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.782 0.005 12.486 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.962 -1.752 12.265 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.479 -1.973 9.090 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.151 -2.174 8.436 1.00 0.00 C ATOM 1072 C GLU A 75 -8.356 -2.777 7.050 1.00 0.00 C ATOM 1073 O GLU A 75 -9.378 -3.368 6.768 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.291 -3.115 9.282 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.988 -4.470 9.431 1.00 0.00 C ATOM 1076 CD GLU A 75 -7.140 -5.378 10.323 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -5.925 -5.280 10.249 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -7.717 -6.156 11.063 1.00 0.00 O ATOM 0 H GLU A 75 -10.196 -2.650 8.829 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.645 -1.213 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.315 -3.248 8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.116 -2.677 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.979 -4.337 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.128 -4.930 8.453 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.389 -2.631 6.182 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.511 -3.192 4.801 1.00 0.00 C ATOM 1087 C LEU A 76 -6.240 -3.965 4.458 1.00 0.00 C ATOM 1088 O LEU A 76 -5.139 -3.511 4.701 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.710 -2.045 3.800 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.792 -2.600 2.348 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.892 -1.871 1.567 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.455 -2.389 1.620 1.00 0.00 C ATOM 0 H LEU A 76 -6.513 -2.144 6.371 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.367 -3.864 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.623 -1.499 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.885 -1.337 3.880 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.018 -3.665 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.941 -2.267 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.851 -2.022 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.667 -0.805 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.527 -2.782 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.226 -1.324 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.662 -2.911 2.156 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.391 -5.138 3.901 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.204 -5.969 3.538 1.00 0.00 C ATOM 1106 C HIS A 77 -4.974 -5.887 2.032 1.00 0.00 C ATOM 1107 O HIS A 77 -5.884 -6.061 1.246 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.474 -7.420 3.932 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.610 -7.504 5.424 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -4.536 -7.291 6.274 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -6.685 -7.765 6.236 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -4.984 -7.426 7.534 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -6.288 -7.715 7.568 1.00 0.00 N ATOM 0 H HIS A 77 -7.293 -5.560 3.680 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.321 -5.603 4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.384 -7.778 3.450 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.660 -8.060 3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.687 -7.977 5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.365 -7.314 8.412 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.868 -7.866 8.393 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.764 -5.616 1.620 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.471 -5.515 0.159 1.00 0.00 C ATOM 1123 C ALA A 78 -2.093 -6.107 -0.127 1.00 0.00 C ATOM 1124 O ALA A 78 -1.240 -6.159 0.734 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.496 -4.046 -0.265 1.00 0.00 C ATOM 0 H ALA A 78 -2.964 -5.460 2.233 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.225 -6.067 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.282 -3.971 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.481 -3.625 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.743 -3.493 0.296 1.00 0.00 H new ATOM 1131 N ARG A 79 -1.878 -6.559 -1.336 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.562 -7.159 -1.710 1.00 0.00 C ATOM 1133 C ARG A 79 -0.047 -6.476 -2.973 1.00 0.00 C ATOM 1134 O ARG A 79 -0.814 -6.051 -3.814 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.739 -8.655 -1.979 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.061 -9.371 -0.667 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.341 -10.848 -0.944 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.103 -11.495 -1.463 1.00 0.00 N ATOM 1139 CZ ARG A 79 -0.129 -12.742 -1.848 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -1.239 -13.428 -1.775 1.00 0.00 N ATOM 1141 NH2 ARG A 79 0.955 -13.304 -2.310 1.00 0.00 N ATOM 0 H ARG A 79 -2.566 -6.538 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 79 0.150 -7.020 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.541 -8.814 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.170 -9.067 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.226 -9.273 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.927 -8.909 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.670 -11.345 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.148 -10.947 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 79 0.766 -10.963 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.087 -12.989 -1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.257 -14.402 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.821 -12.769 -2.370 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.936 -14.278 -2.611 1.00 0.00 H new ATOM 1155 N PHE A 80 1.250 -6.359 -3.107 1.00 0.00 N ATOM 1156 CA PHE A 80 1.841 -5.694 -4.310 1.00 0.00 C ATOM 1157 C PHE A 80 2.911 -6.598 -4.910 1.00 0.00 C ATOM 1158 O PHE A 80 3.582 -7.327 -4.211 1.00 0.00 O ATOM 1159 CB PHE A 80 2.476 -4.369 -3.886 1.00 0.00 C ATOM 1160 CG PHE A 80 1.389 -3.366 -3.598 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.730 -3.383 -2.364 1.00 0.00 C ATOM 1162 CD2 PHE A 80 1.030 -2.429 -4.570 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.285 -2.457 -2.100 1.00 0.00 C ATOM 1164 CE2 PHE A 80 0.015 -1.504 -4.310 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.644 -1.518 -3.074 1.00 0.00 C ATOM 0 H PHE A 80 1.932 -6.699 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 80 1.063 -5.510 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.095 -4.516 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.130 -3.997 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.005 -4.111 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.537 -2.419 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.791 -2.467 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.261 -0.779 -5.061 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.429 -0.804 -2.873 1.00 0.00 H new ATOM 1175 N LYS A 81 3.073 -6.553 -6.207 1.00 0.00 N ATOM 1176 CA LYS A 81 4.100 -7.406 -6.881 1.00 0.00 C ATOM 1177 C LYS A 81 5.193 -6.504 -7.448 1.00 0.00 C ATOM 1178 O LYS A 81 5.013 -5.844 -8.450 1.00 0.00 O ATOM 1179 CB LYS A 81 3.425 -8.192 -8.010 1.00 0.00 C ATOM 1180 CG LYS A 81 2.325 -9.100 -7.436 1.00 0.00 C ATOM 1181 CD LYS A 81 2.938 -10.357 -6.806 1.00 0.00 C ATOM 1182 CE LYS A 81 1.825 -11.243 -6.248 1.00 0.00 C ATOM 1183 NZ LYS A 81 2.429 -12.460 -5.640 1.00 0.00 N ATOM 0 H LYS A 81 2.533 -5.957 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 81 4.543 -8.105 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.996 -7.503 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.165 -8.793 -8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.750 -8.555 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.631 -9.384 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.515 -10.905 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.628 -10.078 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.248 -10.697 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.134 -11.523 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.005 -13.308 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.455 -12.462 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.250 -12.462 -4.616 1.00 0.00 H new ATOM 1197 N PHE A 82 6.325 -6.463 -6.795 1.00 0.00 N ATOM 1198 CA PHE A 82 7.445 -5.597 -7.265 1.00 0.00 C ATOM 1199 C PHE A 82 8.455 -6.434 -8.049 1.00 0.00 C ATOM 1200 O PHE A 82 8.640 -7.606 -7.793 1.00 0.00 O ATOM 1201 CB PHE A 82 8.132 -4.970 -6.052 1.00 0.00 C ATOM 1202 CG PHE A 82 7.213 -3.940 -5.436 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.001 -2.718 -6.085 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.570 -4.208 -4.219 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.148 -1.763 -5.519 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.717 -3.251 -3.654 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.506 -2.030 -4.304 1.00 0.00 C ATOM 0 H PHE A 82 6.522 -6.997 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 82 7.053 -4.814 -7.914 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.377 -5.740 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.071 -4.504 -6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.496 -2.512 -7.023 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.732 -5.151 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.985 -0.820 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.222 -3.456 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.848 -1.293 -3.868 1.00 0.00 H new ATOM 1217 N GLU A 83 9.104 -5.836 -9.009 1.00 0.00 N ATOM 1218 CA GLU A 83 10.098 -6.587 -9.822 1.00 0.00 C ATOM 1219 C GLU A 83 11.276 -7.011 -8.943 1.00 0.00 C ATOM 1220 O GLU A 83 11.828 -8.079 -9.115 1.00 0.00 O ATOM 1221 CB GLU A 83 10.606 -5.688 -10.948 1.00 0.00 C ATOM 1222 CG GLU A 83 11.543 -6.483 -11.859 1.00 0.00 C ATOM 1223 CD GLU A 83 11.997 -5.591 -13.015 1.00 0.00 C ATOM 1224 OE1 GLU A 83 11.776 -4.394 -12.934 1.00 0.00 O ATOM 1225 OE2 GLU A 83 12.553 -6.119 -13.963 1.00 0.00 O ATOM 0 H GLU A 83 8.987 -4.856 -9.266 1.00 0.00 H new ATOM 0 HA GLU A 83 9.625 -7.476 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.766 -5.300 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.131 -4.828 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.407 -6.835 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.033 -7.366 -12.244 1.00 0.00 H new ATOM 1232 N VAL A 84 11.674 -6.179 -8.007 1.00 0.00 N ATOM 1233 CA VAL A 84 12.829 -6.531 -7.118 1.00 0.00 C ATOM 1234 C VAL A 84 12.477 -6.238 -5.660 1.00 0.00 C ATOM 1235 O VAL A 84 11.619 -5.432 -5.361 1.00 0.00 O ATOM 1236 CB VAL A 84 14.049 -5.698 -7.518 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.476 -6.070 -8.938 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.692 -4.210 -7.471 1.00 0.00 C ATOM 0 H VAL A 84 11.248 -5.271 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 84 13.051 -7.592 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 84 14.866 -5.899 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.345 -5.477 -9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.731 -7.129 -8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.657 -5.869 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.562 -3.618 -7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.874 -4.010 -8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.386 -3.941 -6.460 1.00 0.00 H new ATOM 1248 N SER A 85 13.145 -6.892 -4.752 1.00 0.00 N ATOM 1249 CA SER A 85 12.873 -6.671 -3.306 1.00 0.00 C ATOM 1250 C SER A 85 13.367 -5.280 -2.899 1.00 0.00 C ATOM 1251 O SER A 85 12.989 -4.753 -1.870 1.00 0.00 O ATOM 1252 CB SER A 85 13.609 -7.737 -2.494 1.00 0.00 C ATOM 1253 OG SER A 85 13.256 -7.616 -1.122 1.00 0.00 O ATOM 0 H SER A 85 13.874 -7.576 -4.952 1.00 0.00 H new ATOM 0 HA SER A 85 11.802 -6.739 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.351 -8.731 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.686 -7.622 -2.615 1.00 0.00 H new ATOM 0 HG SER A 85 13.107 -6.672 -0.905 1.00 0.00 H new ATOM 1259 N ALA A 86 14.213 -4.683 -3.695 1.00 0.00 N ATOM 1260 CA ALA A 86 14.737 -3.331 -3.354 1.00 0.00 C ATOM 1261 C ALA A 86 13.580 -2.330 -3.309 1.00 0.00 C ATOM 1262 O ALA A 86 13.509 -1.485 -2.437 1.00 0.00 O ATOM 1263 CB ALA A 86 15.745 -2.904 -4.424 1.00 0.00 C ATOM 0 H ALA A 86 14.564 -5.075 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 86 15.224 -3.358 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.134 -1.915 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.567 -3.620 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.253 -2.873 -5.396 1.00 0.00 H new ATOM 1269 N GLU A 87 12.670 -2.429 -4.235 1.00 0.00 N ATOM 1270 CA GLU A 87 11.511 -1.499 -4.255 1.00 0.00 C ATOM 1271 C GLU A 87 10.652 -1.747 -3.016 1.00 0.00 C ATOM 1272 O GLU A 87 10.060 -0.843 -2.466 1.00 0.00 O ATOM 1273 CB GLU A 87 10.685 -1.760 -5.515 1.00 0.00 C ATOM 1274 CG GLU A 87 11.485 -1.331 -6.748 1.00 0.00 C ATOM 1275 CD GLU A 87 10.718 -1.723 -8.011 1.00 0.00 C ATOM 1276 OE1 GLU A 87 9.669 -2.329 -7.878 1.00 0.00 O ATOM 1277 OE2 GLU A 87 11.198 -1.420 -9.091 1.00 0.00 O ATOM 0 H GLU A 87 12.680 -3.120 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 87 11.859 -0.466 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.431 -2.818 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.746 -1.209 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.652 -0.254 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.466 -1.806 -6.742 1.00 0.00 H new ATOM 1284 N LYS A 88 10.586 -2.971 -2.574 1.00 0.00 N ATOM 1285 CA LYS A 88 9.774 -3.294 -1.371 1.00 0.00 C ATOM 1286 C LYS A 88 10.337 -2.565 -0.149 1.00 0.00 C ATOM 1287 O LYS A 88 9.604 -2.020 0.651 1.00 0.00 O ATOM 1288 CB LYS A 88 9.822 -4.806 -1.132 1.00 0.00 C ATOM 1289 CG LYS A 88 8.946 -5.171 0.068 1.00 0.00 C ATOM 1290 CD LYS A 88 8.953 -6.690 0.255 1.00 0.00 C ATOM 1291 CE LYS A 88 8.065 -7.062 1.443 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.054 -8.542 1.614 1.00 0.00 N ATOM 0 H LYS A 88 11.063 -3.766 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 88 8.744 -2.974 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.476 -5.335 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.850 -5.122 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.318 -4.680 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.927 -4.817 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.593 -7.180 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.971 -7.042 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.434 -6.584 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.051 -6.697 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.450 -8.794 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.682 -8.988 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.023 -8.879 1.788 1.00 0.00 H new ATOM 1306 N LEU A 89 11.632 -2.567 0.013 1.00 0.00 N ATOM 1307 CA LEU A 89 12.232 -1.892 1.195 1.00 0.00 C ATOM 1308 C LEU A 89 11.918 -0.392 1.154 1.00 0.00 C ATOM 1309 O LEU A 89 11.481 0.183 2.130 1.00 0.00 O ATOM 1310 CB LEU A 89 13.750 -2.089 1.152 1.00 0.00 C ATOM 1311 CG LEU A 89 14.087 -3.582 1.261 1.00 0.00 C ATOM 1312 CD1 LEU A 89 15.597 -3.766 1.086 1.00 0.00 C ATOM 1313 CD2 LEU A 89 13.650 -4.133 2.633 1.00 0.00 C ATOM 0 H LEU A 89 12.298 -3.007 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 89 11.820 -2.318 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.152 -1.684 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.220 -1.541 1.969 1.00 0.00 H new ATOM 0 HG LEU A 89 13.554 -4.129 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.846 -4.825 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.898 -3.392 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.123 -3.213 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.896 -5.193 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.170 -3.593 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.574 -4.003 2.752 1.00 0.00 H new ATOM 1325 N ILE A 90 12.128 0.240 0.033 1.00 0.00 N ATOM 1326 CA ILE A 90 11.834 1.698 -0.071 1.00 0.00 C ATOM 1327 C ILE A 90 10.317 1.912 -0.047 1.00 0.00 C ATOM 1328 O ILE A 90 9.813 2.794 0.618 1.00 0.00 O ATOM 1329 CB ILE A 90 12.431 2.238 -1.384 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.941 2.460 -1.208 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.768 3.573 -1.762 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.595 1.208 -0.615 1.00 0.00 C ATOM 0 H ILE A 90 12.491 -0.190 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 90 12.278 2.232 0.769 1.00 0.00 H new ATOM 0 HB ILE A 90 12.251 1.511 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.396 2.695 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.116 3.315 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.200 3.943 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.696 3.423 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.937 4.301 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.665 1.378 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.151 0.991 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.435 0.362 -1.284 1.00 0.00 H new ATOM 1344 N PHE A 91 9.595 1.118 -0.779 1.00 0.00 N ATOM 1345 CA PHE A 91 8.118 1.271 -0.825 1.00 0.00 C ATOM 1346 C PHE A 91 7.535 1.115 0.580 1.00 0.00 C ATOM 1347 O PHE A 91 6.679 1.870 0.992 1.00 0.00 O ATOM 1348 CB PHE A 91 7.537 0.200 -1.749 1.00 0.00 C ATOM 1349 CG PHE A 91 6.039 0.371 -1.849 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.508 1.501 -2.486 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.180 -0.599 -1.317 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.120 1.658 -2.589 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.794 -0.440 -1.420 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.264 0.688 -2.057 1.00 0.00 C ATOM 0 H PHE A 91 9.968 0.362 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 91 7.863 2.261 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.988 0.276 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.775 -0.792 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.169 2.250 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.588 -1.471 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.710 2.529 -3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.133 -1.188 -1.008 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.194 0.809 -2.138 1.00 0.00 H new ATOM 1364 N GLU A 92 7.983 0.135 1.314 1.00 0.00 N ATOM 1365 CA GLU A 92 7.444 -0.079 2.686 1.00 0.00 C ATOM 1366 C GLU A 92 7.765 1.127 3.578 1.00 0.00 C ATOM 1367 O GLU A 92 6.884 1.761 4.120 1.00 0.00 O ATOM 1368 CB GLU A 92 8.097 -1.327 3.276 1.00 0.00 C ATOM 1369 CG GLU A 92 7.391 -1.714 4.573 1.00 0.00 C ATOM 1370 CD GLU A 92 5.999 -2.256 4.248 1.00 0.00 C ATOM 1371 OE1 GLU A 92 5.716 -2.441 3.075 1.00 0.00 O ATOM 1372 OE2 GLU A 92 5.241 -2.481 5.177 1.00 0.00 O ATOM 0 H GLU A 92 8.701 -0.528 1.022 1.00 0.00 H new ATOM 0 HA GLU A 92 6.362 -0.201 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.043 -2.149 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.154 -1.140 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.972 -2.467 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.312 -0.848 5.230 1.00 0.00 H new ATOM 1379 N LEU A 93 9.023 1.437 3.741 1.00 0.00 N ATOM 1380 CA LEU A 93 9.409 2.589 4.607 1.00 0.00 C ATOM 1381 C LEU A 93 8.854 3.892 4.022 1.00 0.00 C ATOM 1382 O LEU A 93 8.350 4.736 4.734 1.00 0.00 O ATOM 1383 CB LEU A 93 10.942 2.666 4.679 1.00 0.00 C ATOM 1384 CG LEU A 93 11.469 1.697 5.743 1.00 0.00 C ATOM 1385 CD1 LEU A 93 10.908 0.295 5.493 1.00 0.00 C ATOM 1386 CD2 LEU A 93 12.997 1.657 5.668 1.00 0.00 C ATOM 0 H LEU A 93 9.803 0.940 3.310 1.00 0.00 H new ATOM 0 HA LEU A 93 8.998 2.449 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.372 2.421 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.252 3.683 4.917 1.00 0.00 H new ATOM 0 HG LEU A 93 11.155 2.035 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.286 -0.389 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.819 0.325 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.218 -0.050 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.380 0.970 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.304 1.318 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.396 2.655 5.850 1.00 0.00 H new ATOM 1398 N LYS A 94 8.947 4.061 2.735 1.00 0.00 N ATOM 1399 CA LYS A 94 8.433 5.308 2.108 1.00 0.00 C ATOM 1400 C LYS A 94 6.923 5.413 2.324 1.00 0.00 C ATOM 1401 O LYS A 94 6.412 6.454 2.682 1.00 0.00 O ATOM 1402 CB LYS A 94 8.747 5.284 0.614 1.00 0.00 C ATOM 1403 CG LYS A 94 8.315 6.605 -0.020 1.00 0.00 C ATOM 1404 CD LYS A 94 8.701 6.606 -1.498 1.00 0.00 C ATOM 1405 CE LYS A 94 8.273 7.927 -2.134 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.004 9.051 -1.482 1.00 0.00 N ATOM 0 H LYS A 94 9.358 3.388 2.088 1.00 0.00 H new ATOM 0 HA LYS A 94 8.913 6.173 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.814 5.126 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.229 4.453 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.238 6.738 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.791 7.441 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.777 6.471 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.223 5.771 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.484 7.913 -3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.198 8.065 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.016 9.873 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.526 9.308 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.980 8.757 -1.277 1.00 0.00 H new ATOM 1420 N THR A 95 6.203 4.346 2.114 1.00 0.00 N ATOM 1421 CA THR A 95 4.730 4.400 2.318 1.00 0.00 C ATOM 1422 C THR A 95 4.432 4.627 3.799 1.00 0.00 C ATOM 1423 O THR A 95 3.585 5.421 4.157 1.00 0.00 O ATOM 1424 CB THR A 95 4.109 3.078 1.872 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.832 2.003 2.455 1.00 0.00 O ATOM 1426 CG2 THR A 95 4.164 2.962 0.347 1.00 0.00 C ATOM 0 H THR A 95 6.569 3.443 1.811 1.00 0.00 H new ATOM 0 HA THR A 95 4.309 5.217 1.732 1.00 0.00 H new ATOM 0 HB THR A 95 3.068 3.042 2.194 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.388 1.574 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.719 2.016 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.610 3.787 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.202 3.000 0.016 1.00 0.00 H new ATOM 1434 N ARG A 96 5.133 3.946 4.666 1.00 0.00 N ATOM 1435 CA ARG A 96 4.899 4.134 6.122 1.00 0.00 C ATOM 1436 C ARG A 96 5.270 5.565 6.505 1.00 0.00 C ATOM 1437 O ARG A 96 4.613 6.194 7.310 1.00 0.00 O ATOM 1438 CB ARG A 96 5.757 3.152 6.917 1.00 0.00 C ATOM 1439 CG ARG A 96 5.179 1.748 6.768 1.00 0.00 C ATOM 1440 CD ARG A 96 6.061 0.756 7.517 1.00 0.00 C ATOM 1441 NE ARG A 96 5.476 -0.608 7.389 1.00 0.00 N ATOM 1442 CZ ARG A 96 4.650 -1.073 8.295 1.00 0.00 C ATOM 1443 NH1 ARG A 96 4.297 -0.333 9.313 1.00 0.00 N ATOM 1444 NH2 ARG A 96 4.167 -2.279 8.174 1.00 0.00 N ATOM 0 H ARG A 96 5.857 3.268 4.426 1.00 0.00 H new ATOM 0 HA ARG A 96 3.849 3.951 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.786 3.175 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.781 3.439 7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.163 1.717 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.121 1.476 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.073 0.771 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.135 1.037 8.568 1.00 0.00 H new ATOM 0 HE ARG A 96 5.721 -1.188 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.665 0.614 9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.654 -0.702 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.432 -2.857 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.524 -2.644 8.877 1.00 0.00 H new ATOM 1458 N ALA A 97 6.319 6.082 5.928 1.00 0.00 N ATOM 1459 CA ALA A 97 6.739 7.472 6.246 1.00 0.00 C ATOM 1460 C ALA A 97 5.638 8.439 5.818 1.00 0.00 C ATOM 1461 O ALA A 97 5.334 9.396 6.502 1.00 0.00 O ATOM 1462 CB ALA A 97 8.026 7.797 5.484 1.00 0.00 C ATOM 0 H ALA A 97 6.905 5.598 5.247 1.00 0.00 H new ATOM 0 HA ALA A 97 6.915 7.568 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.338 8.816 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.811 7.101 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.847 7.706 4.413 1.00 0.00 H new