USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 93 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.699) USER MOD Set 1.2: A 96 SER OG : rot 86:sc= -1.83 USER MOD Set 2.1: A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -106:sc= 0.223 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.183 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.4) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 13:sc= -1.63! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.52 K(o=-1.5,f=-7.9!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 98 TYR OH : rot -130:sc= 0.73 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 105 GLN : amide:sc= -0.563 K(o=-0.56,f=-2.3!) USER MOD Single : A 106 THR OG1 : rot 120:sc= -1.29 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -174:sc= 1.19 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.852 9.461 -1.691 1.00 0.00 N ATOM 351 CA VAL A 27 12.807 8.465 -1.857 1.00 0.00 C ATOM 352 C VAL A 27 12.827 7.946 -3.297 1.00 0.00 C ATOM 353 O VAL A 27 13.371 8.597 -4.188 1.00 0.00 O ATOM 354 CB VAL A 27 11.454 9.053 -1.453 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.311 9.104 0.069 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.253 10.439 -2.069 1.00 0.00 C ATOM 0 HA VAL A 27 12.985 7.613 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 27 10.674 8.397 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.340 9.526 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.389 8.096 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.102 9.727 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.284 10.835 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.042 11.108 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.290 10.363 -3.156 1.00 0.00 H new ATOM 366 N PRO A 28 12.213 6.747 -3.484 1.00 0.00 N ATOM 367 CA PRO A 28 12.155 6.134 -4.800 1.00 0.00 C ATOM 368 C PRO A 28 11.129 6.838 -5.689 1.00 0.00 C ATOM 369 O PRO A 28 10.452 7.765 -5.248 1.00 0.00 O ATOM 370 CB PRO A 28 11.814 4.676 -4.539 1.00 0.00 C ATOM 371 CG PRO A 28 11.238 4.627 -3.134 1.00 0.00 C ATOM 372 CD PRO A 28 11.559 5.948 -2.453 1.00 0.00 C ATOM 0 HA PRO A 28 13.095 6.219 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.094 4.307 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.701 4.047 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.160 4.467 -3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.666 3.795 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.655 6.435 -2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.211 5.801 -1.592 1.00 0.00 H new ATOM 380 N GLY A 29 11.045 6.371 -6.926 1.00 0.00 N ATOM 381 CA GLY A 29 10.113 6.945 -7.882 1.00 0.00 C ATOM 382 C GLY A 29 8.815 6.136 -7.935 1.00 0.00 C ATOM 383 O GLY A 29 8.576 5.282 -7.082 1.00 0.00 O ATOM 0 H GLY A 29 11.607 5.601 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.892 7.976 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.570 6.971 -8.871 1.00 0.00 H new ATOM 387 N PRO A 30 7.990 6.441 -8.972 1.00 0.00 N ATOM 388 CA PRO A 30 6.723 5.752 -9.147 1.00 0.00 C ATOM 389 C PRO A 30 6.938 4.337 -9.690 1.00 0.00 C ATOM 390 O PRO A 30 7.695 4.141 -10.639 1.00 0.00 O ATOM 391 CB PRO A 30 5.923 6.634 -10.092 1.00 0.00 C ATOM 392 CG PRO A 30 6.935 7.540 -10.774 1.00 0.00 C ATOM 393 CD PRO A 30 8.240 7.446 -10.001 1.00 0.00 C ATOM 0 HA PRO A 30 6.189 5.609 -8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.382 6.033 -10.823 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.181 7.218 -9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.082 7.236 -11.810 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.575 8.569 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.064 7.151 -10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.509 8.406 -9.560 1.00 0.00 H new ATOM 401 N PRO A 31 6.242 3.363 -9.046 1.00 0.00 N ATOM 402 CA PRO A 31 6.349 1.972 -9.453 1.00 0.00 C ATOM 403 C PRO A 31 5.574 1.719 -10.748 1.00 0.00 C ATOM 404 O PRO A 31 4.344 1.739 -10.754 1.00 0.00 O ATOM 405 CB PRO A 31 5.814 1.175 -8.275 1.00 0.00 C ATOM 406 CG PRO A 31 5.000 2.153 -7.444 1.00 0.00 C ATOM 407 CD PRO A 31 5.336 3.558 -7.917 1.00 0.00 C ATOM 0 HA PRO A 31 7.373 1.678 -9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.197 0.343 -8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.629 0.749 -7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.934 1.956 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.233 2.041 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.439 4.099 -8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.809 4.140 -7.126 1.00 0.00 H new ATOM 415 N MET A 32 6.326 1.486 -11.814 1.00 0.00 N ATOM 416 CA MET A 32 5.725 1.229 -13.112 1.00 0.00 C ATOM 417 C MET A 32 5.461 -0.266 -13.307 1.00 0.00 C ATOM 418 O MET A 32 5.999 -1.096 -12.576 1.00 0.00 O ATOM 419 CB MET A 32 6.659 1.731 -14.215 1.00 0.00 C ATOM 420 CG MET A 32 8.049 1.107 -14.083 1.00 0.00 C ATOM 421 SD MET A 32 8.925 1.234 -15.634 1.00 0.00 S ATOM 422 CE MET A 32 10.588 0.901 -15.078 1.00 0.00 C ATOM 0 H MET A 32 7.346 1.470 -11.805 1.00 0.00 H new ATOM 0 HA MET A 32 4.773 1.757 -13.162 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.239 1.488 -15.191 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.738 2.817 -14.163 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.610 1.612 -13.297 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.961 0.061 -13.790 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.270 0.941 -15.927 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.882 1.648 -14.341 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.629 -0.090 -14.626 1.00 0.00 H new ATOM 432 N GLY A 33 4.633 -0.563 -14.298 1.00 0.00 N ATOM 433 CA GLY A 33 4.292 -1.943 -14.599 1.00 0.00 C ATOM 434 C GLY A 33 3.111 -2.414 -13.747 1.00 0.00 C ATOM 435 O GLY A 33 3.175 -3.472 -13.123 1.00 0.00 O ATOM 0 H GLY A 33 4.189 0.128 -14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.043 -2.038 -15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.155 -2.583 -14.416 1.00 0.00 H new ATOM 439 N ILE A 34 2.062 -1.604 -13.747 1.00 0.00 N ATOM 440 CA ILE A 34 0.870 -1.925 -12.982 1.00 0.00 C ATOM 441 C ILE A 34 -0.160 -2.583 -13.902 1.00 0.00 C ATOM 442 O ILE A 34 -0.739 -1.922 -14.764 1.00 0.00 O ATOM 443 CB ILE A 34 0.345 -0.682 -12.261 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.499 0.202 -11.781 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.596 -1.066 -11.117 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.493 -0.603 -10.940 1.00 0.00 C ATOM 0 H ILE A 34 2.013 -0.726 -14.265 1.00 0.00 H new ATOM 0 HA ILE A 34 1.104 -2.645 -12.198 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.236 -0.096 -12.973 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.011 0.636 -12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.106 1.031 -11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.954 -0.163 -10.622 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.444 -1.623 -11.515 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.061 -1.686 -10.398 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.303 0.048 -10.612 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.983 -1.015 -10.069 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.902 -1.416 -11.540 1.00 0.00 H new ATOM 458 N LEU A 35 -0.358 -3.875 -13.688 1.00 0.00 N ATOM 459 CA LEU A 35 -1.309 -4.629 -14.488 1.00 0.00 C ATOM 460 C LEU A 35 -2.239 -5.414 -13.561 1.00 0.00 C ATOM 461 O LEU A 35 -1.839 -5.817 -12.470 1.00 0.00 O ATOM 462 CB LEU A 35 -0.576 -5.503 -15.508 1.00 0.00 C ATOM 463 CG LEU A 35 0.255 -4.759 -16.555 1.00 0.00 C ATOM 464 CD1 LEU A 35 1.172 -5.721 -17.312 1.00 0.00 C ATOM 465 CD2 LEU A 35 -0.643 -3.959 -17.500 1.00 0.00 C ATOM 0 H LEU A 35 0.124 -4.419 -12.972 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.935 -3.955 -15.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.082 -6.183 -14.967 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.312 -6.117 -16.027 1.00 0.00 H new ATOM 0 HG LEU A 35 0.895 -4.044 -16.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.751 -5.166 -18.050 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.849 -6.207 -16.609 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.570 -6.476 -17.817 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.027 -3.440 -18.234 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.326 -4.636 -18.013 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.216 -3.230 -16.927 1.00 0.00 H new ATOM 477 N PHE A 36 -3.463 -5.607 -14.029 1.00 0.00 N ATOM 478 CA PHE A 36 -4.454 -6.337 -13.256 1.00 0.00 C ATOM 479 C PHE A 36 -4.827 -7.652 -13.944 1.00 0.00 C ATOM 480 O PHE A 36 -5.729 -7.686 -14.779 1.00 0.00 O ATOM 481 CB PHE A 36 -5.697 -5.449 -13.171 1.00 0.00 C ATOM 482 CG PHE A 36 -5.564 -4.286 -12.186 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.920 -4.453 -10.884 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.091 -3.084 -12.613 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.797 -3.373 -9.971 1.00 0.00 C ATOM 486 CE2 PHE A 36 -4.968 -2.005 -11.700 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.323 -2.171 -10.398 1.00 0.00 C ATOM 0 H PHE A 36 -3.792 -5.271 -14.934 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.055 -6.575 -12.270 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.914 -5.050 -14.162 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.550 -6.062 -12.880 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.296 -5.407 -10.545 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.809 -2.951 -13.647 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.080 -3.505 -8.937 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.592 -1.051 -12.039 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.229 -1.350 -9.703 1.00 0.00 H new ATOM 497 N PRO A 37 -4.093 -8.730 -13.558 1.00 0.00 N ATOM 498 CA PRO A 37 -4.338 -10.044 -14.128 1.00 0.00 C ATOM 499 C PRO A 37 -5.614 -10.663 -13.554 1.00 0.00 C ATOM 500 O PRO A 37 -6.482 -11.111 -14.301 1.00 0.00 O ATOM 501 CB PRO A 37 -3.090 -10.851 -13.807 1.00 0.00 C ATOM 502 CG PRO A 37 -2.396 -10.111 -12.675 1.00 0.00 C ATOM 503 CD PRO A 37 -3.016 -8.728 -12.573 1.00 0.00 C ATOM 0 HA PRO A 37 -4.509 -10.010 -15.204 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.348 -11.867 -13.509 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.440 -10.929 -14.679 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.514 -10.652 -11.736 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.326 -10.036 -12.867 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.398 -8.538 -11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.284 -7.949 -12.788 1.00 0.00 H new ATOM 511 N GLU A 38 -5.688 -10.666 -12.231 1.00 0.00 N ATOM 512 CA GLU A 38 -6.843 -11.222 -11.547 1.00 0.00 C ATOM 513 C GLU A 38 -7.608 -10.118 -10.814 1.00 0.00 C ATOM 514 O GLU A 38 -7.089 -9.518 -9.874 1.00 0.00 O ATOM 515 CB GLU A 38 -6.427 -12.335 -10.582 1.00 0.00 C ATOM 516 CG GLU A 38 -7.629 -12.850 -9.788 1.00 0.00 C ATOM 517 CD GLU A 38 -7.194 -13.876 -8.740 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.368 -14.741 -9.101 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.698 -13.771 -7.600 1.00 0.00 O ATOM 0 H GLU A 38 -4.967 -10.292 -11.615 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.505 -11.662 -12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.977 -13.156 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.667 -11.961 -9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.131 -12.015 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.351 -13.302 -10.467 1.00 0.00 H new ATOM 526 N VAL A 39 -8.829 -9.884 -11.272 1.00 0.00 N ATOM 527 CA VAL A 39 -9.670 -8.863 -10.672 1.00 0.00 C ATOM 528 C VAL A 39 -11.113 -9.367 -10.613 1.00 0.00 C ATOM 529 O VAL A 39 -11.769 -9.506 -11.644 1.00 0.00 O ATOM 530 CB VAL A 39 -9.527 -7.548 -11.441 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.557 -6.521 -10.967 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.106 -6.995 -11.322 1.00 0.00 C ATOM 0 H VAL A 39 -9.256 -10.384 -12.052 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.354 -8.661 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.719 -7.753 -12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.434 -5.596 -11.530 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.562 -6.912 -11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.411 -6.322 -9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.032 -6.060 -11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.873 -6.813 -10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.399 -7.717 -11.731 1.00 0.00 H new ATOM 542 N ARG A 40 -11.566 -9.627 -9.395 1.00 0.00 N ATOM 543 CA ARG A 40 -12.920 -10.113 -9.188 1.00 0.00 C ATOM 544 C ARG A 40 -13.809 -8.992 -8.644 1.00 0.00 C ATOM 545 O ARG A 40 -13.446 -7.819 -8.712 1.00 0.00 O ATOM 546 CB ARG A 40 -12.939 -11.290 -8.210 1.00 0.00 C ATOM 547 CG ARG A 40 -11.650 -12.107 -8.311 1.00 0.00 C ATOM 548 CD ARG A 40 -11.749 -13.391 -7.484 1.00 0.00 C ATOM 549 NE ARG A 40 -12.116 -14.528 -8.358 1.00 0.00 N ATOM 550 CZ ARG A 40 -11.268 -15.130 -9.203 1.00 0.00 C ATOM 551 NH1 ARG A 40 -9.999 -14.707 -9.294 1.00 0.00 N ATOM 552 NH2 ARG A 40 -11.688 -16.155 -9.957 1.00 0.00 N ATOM 0 H ARG A 40 -11.020 -9.510 -8.542 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.303 -10.450 -10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.060 -10.920 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.796 -11.929 -8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.454 -12.356 -9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.808 -11.509 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.797 -13.592 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.494 -13.271 -6.698 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.074 -14.875 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.679 -13.927 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.354 -15.165 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.653 -16.477 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.042 -16.613 -10.600 1.00 0.00 H new ATOM 566 N THR A 41 -14.956 -9.394 -8.116 1.00 0.00 N ATOM 567 CA THR A 41 -15.899 -8.438 -7.561 1.00 0.00 C ATOM 568 C THR A 41 -15.337 -7.815 -6.282 1.00 0.00 C ATOM 569 O THR A 41 -14.725 -6.749 -6.324 1.00 0.00 O ATOM 570 CB THR A 41 -17.233 -9.158 -7.351 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.859 -10.496 -7.035 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.037 -9.291 -8.646 1.00 0.00 C ATOM 0 H THR A 41 -15.253 -10.368 -8.061 1.00 0.00 H new ATOM 0 HA THR A 41 -16.066 -7.605 -8.244 1.00 0.00 H new ATOM 0 HB THR A 41 -17.824 -8.618 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.043 -11.077 -7.803 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.974 -9.809 -8.441 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.250 -8.299 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.460 -9.860 -9.376 1.00 0.00 H new ATOM 580 N THR A 42 -15.563 -8.507 -5.175 1.00 0.00 N ATOM 581 CA THR A 42 -15.087 -8.035 -3.886 1.00 0.00 C ATOM 582 C THR A 42 -13.688 -8.585 -3.601 1.00 0.00 C ATOM 583 O THR A 42 -13.287 -8.703 -2.444 1.00 0.00 O ATOM 584 CB THR A 42 -16.121 -8.426 -2.828 1.00 0.00 C ATOM 585 OG1 THR A 42 -15.900 -9.819 -2.625 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.555 -8.349 -3.354 1.00 0.00 C ATOM 0 H THR A 42 -16.070 -9.392 -5.144 1.00 0.00 H new ATOM 0 HA THR A 42 -14.984 -6.950 -3.875 1.00 0.00 H new ATOM 0 HB THR A 42 -16.017 -7.774 -1.961 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.528 -10.155 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.248 -8.636 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.771 -7.330 -3.673 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.669 -9.026 -4.200 1.00 0.00 H new ATOM 594 N SER A 43 -12.983 -8.906 -4.676 1.00 0.00 N ATOM 595 CA SER A 43 -11.637 -9.440 -4.556 1.00 0.00 C ATOM 596 C SER A 43 -10.875 -9.239 -5.867 1.00 0.00 C ATOM 597 O SER A 43 -11.382 -9.564 -6.940 1.00 0.00 O ATOM 598 CB SER A 43 -11.664 -10.923 -4.180 1.00 0.00 C ATOM 599 OG SER A 43 -12.699 -11.627 -4.861 1.00 0.00 O ATOM 0 H SER A 43 -13.319 -8.807 -5.634 1.00 0.00 H new ATOM 0 HA SER A 43 -11.125 -8.900 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.701 -11.375 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.806 -11.022 -3.104 1.00 0.00 H new ATOM 0 HG SER A 43 -12.682 -12.570 -4.596 1.00 0.00 H new ATOM 605 N VAL A 44 -9.669 -8.705 -5.739 1.00 0.00 N ATOM 606 CA VAL A 44 -8.833 -8.457 -6.900 1.00 0.00 C ATOM 607 C VAL A 44 -7.379 -8.786 -6.556 1.00 0.00 C ATOM 608 O VAL A 44 -7.064 -9.093 -5.407 1.00 0.00 O ATOM 609 CB VAL A 44 -9.021 -7.017 -7.383 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.499 -6.620 -7.360 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.180 -6.046 -6.553 1.00 0.00 C ATOM 0 H VAL A 44 -9.251 -8.437 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.127 -9.104 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.675 -6.962 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.605 -5.592 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.064 -7.284 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.881 -6.700 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.332 -5.030 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.482 -6.106 -5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.126 -6.309 -6.642 1.00 0.00 H new ATOM 621 N ARG A 45 -6.532 -8.711 -7.572 1.00 0.00 N ATOM 622 CA ARG A 45 -5.119 -8.997 -7.391 1.00 0.00 C ATOM 623 C ARG A 45 -4.308 -8.424 -8.555 1.00 0.00 C ATOM 624 O ARG A 45 -4.329 -8.969 -9.658 1.00 0.00 O ATOM 625 CB ARG A 45 -4.870 -10.504 -7.298 1.00 0.00 C ATOM 626 CG ARG A 45 -3.387 -10.801 -7.068 1.00 0.00 C ATOM 627 CD ARG A 45 -2.990 -12.135 -7.703 1.00 0.00 C ATOM 628 NE ARG A 45 -2.942 -13.194 -6.670 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.020 -13.254 -5.699 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.064 -12.318 -5.624 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.054 -14.251 -4.804 1.00 0.00 N ATOM 0 H ARG A 45 -6.797 -8.456 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.803 -8.529 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.459 -10.924 -6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.204 -10.989 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.782 -9.999 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.179 -10.827 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.706 -12.405 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.017 -12.042 -8.186 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.655 -13.923 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.038 -11.560 -6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.362 -12.364 -4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.781 -14.964 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.353 -14.297 -4.065 1.00 0.00 H new ATOM 645 N LEU A 46 -3.613 -7.333 -8.270 1.00 0.00 N ATOM 646 CA LEU A 46 -2.797 -6.680 -9.280 1.00 0.00 C ATOM 647 C LEU A 46 -1.322 -6.996 -9.019 1.00 0.00 C ATOM 648 O LEU A 46 -0.976 -7.539 -7.972 1.00 0.00 O ATOM 649 CB LEU A 46 -3.106 -5.183 -9.332 1.00 0.00 C ATOM 650 CG LEU A 46 -2.309 -4.299 -8.370 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.230 -2.861 -8.884 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.885 -4.372 -6.955 1.00 0.00 C ATOM 0 H LEU A 46 -3.598 -6.884 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.036 -7.065 -10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.929 -4.831 -10.348 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.167 -5.044 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.289 -4.679 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.658 -2.254 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.739 -2.849 -9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.236 -2.453 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.301 -3.735 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.921 -4.032 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.845 -5.401 -6.598 1.00 0.00 H new ATOM 664 N ILE A 47 -0.494 -6.641 -9.990 1.00 0.00 N ATOM 665 CA ILE A 47 0.935 -6.879 -9.879 1.00 0.00 C ATOM 666 C ILE A 47 1.694 -5.656 -10.400 1.00 0.00 C ATOM 667 O ILE A 47 1.405 -5.159 -11.487 1.00 0.00 O ATOM 668 CB ILE A 47 1.317 -8.184 -10.581 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.475 -7.970 -12.088 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.312 -9.292 -10.261 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.149 -7.548 -12.724 1.00 0.00 C ATOM 0 H ILE A 47 -0.785 -6.190 -10.857 1.00 0.00 H new ATOM 0 HA ILE A 47 1.219 -7.010 -8.835 1.00 0.00 H new ATOM 0 HB ILE A 47 2.285 -8.507 -10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.231 -7.206 -12.273 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.830 -8.889 -12.554 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.606 -10.209 -10.772 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.293 -9.466 -9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.680 -8.992 -10.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.289 -7.403 -13.795 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.598 -8.325 -12.558 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.191 -6.616 -12.273 1.00 0.00 H new ATOM 683 N TRP A 48 2.649 -5.207 -9.599 1.00 0.00 N ATOM 684 CA TRP A 48 3.451 -4.052 -9.965 1.00 0.00 C ATOM 685 C TRP A 48 4.916 -4.489 -10.011 1.00 0.00 C ATOM 686 O TRP A 48 5.227 -5.655 -9.773 1.00 0.00 O ATOM 687 CB TRP A 48 3.204 -2.887 -9.004 1.00 0.00 C ATOM 688 CG TRP A 48 3.706 -3.137 -7.581 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.848 -2.712 -7.022 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.033 -3.892 -6.552 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.959 -3.136 -5.713 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.820 -3.876 -5.418 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.799 -4.566 -6.578 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.461 -4.517 -4.227 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.454 -5.202 -5.379 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.236 -5.195 -4.229 1.00 0.00 C ATOM 0 H TRP A 48 2.885 -5.622 -8.698 1.00 0.00 H new ATOM 0 HA TRP A 48 3.168 -3.682 -10.950 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.690 -1.995 -9.398 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.135 -2.678 -8.970 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.588 -2.113 -7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.734 -2.942 -5.079 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.167 -4.591 -7.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.095 -4.490 -3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.515 -5.735 -5.345 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.900 -5.710 -3.341 1.00 0.00 H new ATOM 707 N GLN A 49 5.777 -3.530 -10.318 1.00 0.00 N ATOM 708 CA GLN A 49 7.202 -3.802 -10.398 1.00 0.00 C ATOM 709 C GLN A 49 7.993 -2.700 -9.690 1.00 0.00 C ATOM 710 O GLN A 49 7.469 -1.615 -9.442 1.00 0.00 O ATOM 711 CB GLN A 49 7.651 -3.950 -11.853 1.00 0.00 C ATOM 712 CG GLN A 49 7.494 -5.395 -12.331 1.00 0.00 C ATOM 713 CD GLN A 49 7.591 -5.482 -13.855 1.00 0.00 C ATOM 714 OE1 GLN A 49 6.601 -5.460 -14.568 1.00 0.00 O ATOM 715 NE2 GLN A 49 8.835 -5.582 -14.313 1.00 0.00 N ATOM 0 H GLN A 49 5.515 -2.564 -10.514 1.00 0.00 H new ATOM 0 HA GLN A 49 7.401 -4.747 -9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.063 -3.287 -12.488 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.692 -3.643 -11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.266 -6.018 -11.878 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.532 -5.788 -12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.619 -5.595 -13.661 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.005 -5.646 -15.317 1.00 0.00 H new ATOM 724 N PRO A 50 9.276 -3.025 -9.375 1.00 0.00 N ATOM 725 CA PRO A 50 10.145 -2.075 -8.700 1.00 0.00 C ATOM 726 C PRO A 50 10.620 -0.986 -9.664 1.00 0.00 C ATOM 727 O PRO A 50 10.759 -1.229 -10.862 1.00 0.00 O ATOM 728 CB PRO A 50 11.284 -2.912 -8.141 1.00 0.00 C ATOM 729 CG PRO A 50 11.257 -4.221 -8.914 1.00 0.00 C ATOM 730 CD PRO A 50 9.931 -4.300 -9.653 1.00 0.00 C ATOM 0 HA PRO A 50 9.637 -1.534 -7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.240 -2.404 -8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.153 -3.086 -7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.089 -4.266 -9.617 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.367 -5.067 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.082 -4.443 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.331 -5.139 -9.301 1.00 0.00 H new ATOM 738 N PRO A 51 10.863 0.223 -9.090 1.00 0.00 N ATOM 739 CA PRO A 51 11.320 1.350 -9.885 1.00 0.00 C ATOM 740 C PRO A 51 12.795 1.193 -10.261 1.00 0.00 C ATOM 741 O PRO A 51 13.656 1.106 -9.388 1.00 0.00 O ATOM 742 CB PRO A 51 11.054 2.573 -9.022 1.00 0.00 C ATOM 743 CG PRO A 51 10.891 2.055 -7.603 1.00 0.00 C ATOM 744 CD PRO A 51 10.710 0.547 -7.675 1.00 0.00 C ATOM 0 HA PRO A 51 10.799 1.431 -10.839 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.879 3.283 -9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.157 3.096 -9.352 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.765 2.306 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.030 2.520 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.453 0.030 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.730 0.248 -7.304 1.00 0.00 H new ATOM 752 N ALA A 52 13.040 1.164 -11.563 1.00 0.00 N ATOM 753 CA ALA A 52 14.396 1.019 -12.066 1.00 0.00 C ATOM 754 C ALA A 52 15.327 1.945 -11.281 1.00 0.00 C ATOM 755 O ALA A 52 16.514 1.658 -11.135 1.00 0.00 O ATOM 756 CB ALA A 52 14.416 1.308 -13.568 1.00 0.00 C ATOM 0 H ALA A 52 12.323 1.238 -12.285 1.00 0.00 H new ATOM 0 HA ALA A 52 14.751 -0.002 -11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.433 1.199 -13.946 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.761 0.605 -14.082 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.069 2.326 -13.747 1.00 0.00 H new ATOM 762 N ALA A 53 14.754 3.037 -10.797 1.00 0.00 N ATOM 763 CA ALA A 53 15.519 4.006 -10.031 1.00 0.00 C ATOM 764 C ALA A 53 14.955 4.086 -8.611 1.00 0.00 C ATOM 765 O ALA A 53 14.133 4.951 -8.313 1.00 0.00 O ATOM 766 CB ALA A 53 15.491 5.359 -10.746 1.00 0.00 C ATOM 0 H ALA A 53 13.769 3.272 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 53 16.562 3.698 -9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.065 6.086 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.928 5.255 -11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.460 5.701 -10.837 1.00 0.00 H new ATOM 772 N PRO A 54 15.433 3.149 -7.750 1.00 0.00 N ATOM 773 CA PRO A 54 14.986 3.105 -6.368 1.00 0.00 C ATOM 774 C PRO A 54 15.622 4.231 -5.550 1.00 0.00 C ATOM 775 O PRO A 54 14.993 4.777 -4.645 1.00 0.00 O ATOM 776 CB PRO A 54 15.371 1.720 -5.873 1.00 0.00 C ATOM 777 CG PRO A 54 16.427 1.211 -6.841 1.00 0.00 C ATOM 778 CD PRO A 54 16.408 2.109 -8.067 1.00 0.00 C ATOM 0 HA PRO A 54 13.912 3.264 -6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.761 1.763 -4.856 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.506 1.057 -5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.411 1.224 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.221 0.178 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.392 2.535 -8.261 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.119 1.554 -8.960 1.00 0.00 H new ATOM 786 N ASN A 55 16.862 4.543 -5.897 1.00 0.00 N ATOM 787 CA ASN A 55 17.590 5.594 -5.206 1.00 0.00 C ATOM 788 C ASN A 55 17.284 5.520 -3.709 1.00 0.00 C ATOM 789 O ASN A 55 17.068 6.546 -3.065 1.00 0.00 O ATOM 790 CB ASN A 55 17.170 6.977 -5.707 1.00 0.00 C ATOM 791 CG ASN A 55 16.895 6.954 -7.212 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.796 6.915 -8.034 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.603 6.980 -7.526 1.00 0.00 N ATOM 0 H ASN A 55 17.381 4.087 -6.647 1.00 0.00 H new ATOM 0 HA ASN A 55 18.653 5.450 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.277 7.305 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.955 7.701 -5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.316 6.968 -8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.899 7.012 -6.788 1.00 0.00 H new ATOM 800 N GLY A 56 17.276 4.298 -3.198 1.00 0.00 N ATOM 801 CA GLY A 56 17.001 4.078 -1.788 1.00 0.00 C ATOM 802 C GLY A 56 16.463 2.665 -1.549 1.00 0.00 C ATOM 803 O GLY A 56 15.426 2.292 -2.095 1.00 0.00 O ATOM 0 H GLY A 56 17.456 3.450 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.912 4.227 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.276 4.812 -1.436 1.00 0.00 H new ATOM 807 N ILE A 57 17.192 1.919 -0.733 1.00 0.00 N ATOM 808 CA ILE A 57 16.801 0.556 -0.414 1.00 0.00 C ATOM 809 C ILE A 57 15.331 0.538 0.010 1.00 0.00 C ATOM 810 O ILE A 57 14.911 1.343 0.839 1.00 0.00 O ATOM 811 CB ILE A 57 17.749 -0.044 0.626 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.205 0.061 0.167 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.356 -1.484 0.960 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.315 -0.111 -1.349 1.00 0.00 C ATOM 0 H ILE A 57 18.052 2.232 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 57 16.887 -0.081 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 57 17.659 0.536 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.613 1.029 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.804 -0.700 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.046 -1.887 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.342 -1.501 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.399 -2.092 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.360 -0.032 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.929 -1.090 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.735 0.666 -1.846 1.00 0.00 H new ATOM 826 N ILE A 58 14.590 -0.389 -0.579 1.00 0.00 N ATOM 827 CA ILE A 58 13.176 -0.523 -0.273 1.00 0.00 C ATOM 828 C ILE A 58 13.010 -1.378 0.986 1.00 0.00 C ATOM 829 O ILE A 58 13.520 -2.495 1.053 1.00 0.00 O ATOM 830 CB ILE A 58 12.414 -1.060 -1.486 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.818 -0.317 -2.760 1.00 0.00 C ATOM 832 CG2 ILE A 58 10.903 -1.013 -1.249 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.268 1.111 -2.760 1.00 0.00 C ATOM 0 H ILE A 58 14.942 -1.055 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 58 12.739 0.452 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 58 12.686 -2.107 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.905 -0.292 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.445 -0.854 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.385 -1.400 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.652 -1.622 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.595 0.017 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.570 1.617 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.180 1.082 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.662 1.653 -1.900 1.00 0.00 H new ATOM 845 N LEU A 59 12.295 -0.820 1.951 1.00 0.00 N ATOM 846 CA LEU A 59 12.055 -1.517 3.203 1.00 0.00 C ATOM 847 C LEU A 59 10.681 -2.188 3.153 1.00 0.00 C ATOM 848 O LEU A 59 10.414 -3.121 3.910 1.00 0.00 O ATOM 849 CB LEU A 59 12.231 -0.565 4.388 1.00 0.00 C ATOM 850 CG LEU A 59 13.666 -0.124 4.686 1.00 0.00 C ATOM 851 CD1 LEU A 59 14.520 -0.144 3.417 1.00 0.00 C ATOM 852 CD2 LEU A 59 13.687 1.245 5.370 1.00 0.00 C ATOM 0 H LEU A 59 11.874 0.107 1.891 1.00 0.00 H new ATOM 0 HA LEU A 59 12.792 -2.308 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.629 0.325 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.827 -1.047 5.279 1.00 0.00 H new ATOM 0 HG LEU A 59 14.106 -0.839 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.535 0.174 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.543 -1.155 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.092 0.535 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.718 1.536 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.222 1.985 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.136 1.191 6.309 1.00 0.00 H new ATOM 864 N ALA A 60 9.846 -1.688 2.254 1.00 0.00 N ATOM 865 CA ALA A 60 8.506 -2.229 2.096 1.00 0.00 C ATOM 866 C ALA A 60 7.738 -1.384 1.078 1.00 0.00 C ATOM 867 O ALA A 60 8.321 -0.539 0.400 1.00 0.00 O ATOM 868 CB ALA A 60 7.810 -2.276 3.458 1.00 0.00 C ATOM 0 H ALA A 60 10.071 -0.915 1.628 1.00 0.00 H new ATOM 0 HA ALA A 60 8.546 -3.250 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.805 -2.682 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.380 -2.911 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.748 -1.269 3.870 1.00 0.00 H new ATOM 874 N TYR A 61 6.440 -1.641 1.002 1.00 0.00 N ATOM 875 CA TYR A 61 5.586 -0.915 0.078 1.00 0.00 C ATOM 876 C TYR A 61 4.216 -0.638 0.700 1.00 0.00 C ATOM 877 O TYR A 61 3.916 -1.121 1.791 1.00 0.00 O ATOM 878 CB TYR A 61 5.405 -1.829 -1.136 1.00 0.00 C ATOM 879 CG TYR A 61 6.542 -1.740 -2.156 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.704 -2.459 -1.958 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.406 -0.942 -3.274 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.774 -2.375 -2.918 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.476 -0.859 -4.234 1.00 0.00 C ATOM 884 CZ TYR A 61 8.607 -1.580 -4.009 1.00 0.00 C ATOM 885 OH TYR A 61 9.618 -1.501 -4.915 1.00 0.00 O ATOM 0 H TYR A 61 5.959 -2.342 1.566 1.00 0.00 H new ATOM 0 HA TYR A 61 6.032 0.045 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.319 -2.860 -0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.467 -1.578 -1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.810 -3.084 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.497 -0.380 -3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.689 -2.931 -2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.383 -0.238 -5.113 1.00 0.00 H new ATOM 0 HH TYR A 61 10.116 -2.345 -4.924 1.00 0.00 H new ATOM 895 N GLN A 62 3.421 0.140 -0.020 1.00 0.00 N ATOM 896 CA GLN A 62 2.090 0.488 0.448 1.00 0.00 C ATOM 897 C GLN A 62 1.089 0.432 -0.707 1.00 0.00 C ATOM 898 O GLN A 62 1.395 0.861 -1.819 1.00 0.00 O ATOM 899 CB GLN A 62 2.085 1.867 1.112 1.00 0.00 C ATOM 900 CG GLN A 62 0.659 2.308 1.448 1.00 0.00 C ATOM 901 CD GLN A 62 0.666 3.561 2.326 1.00 0.00 C ATOM 902 OE1 GLN A 62 0.953 3.519 3.511 1.00 0.00 O ATOM 903 NE2 GLN A 62 0.334 4.676 1.681 1.00 0.00 N ATOM 0 H GLN A 62 3.673 0.539 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 62 1.788 -0.242 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.685 1.839 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.548 2.596 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.110 2.507 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.137 1.502 1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.105 4.642 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.309 5.565 2.180 1.00 0.00 H new ATOM 912 N ILE A 63 -0.086 -0.101 -0.406 1.00 0.00 N ATOM 913 CA ILE A 63 -1.133 -0.219 -1.406 1.00 0.00 C ATOM 914 C ILE A 63 -2.430 0.374 -0.852 1.00 0.00 C ATOM 915 O ILE A 63 -2.951 -0.098 0.158 1.00 0.00 O ATOM 916 CB ILE A 63 -1.269 -1.670 -1.871 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.638 -1.865 -3.250 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.731 -2.120 -1.840 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.133 -3.185 -3.319 1.00 0.00 C ATOM 0 H ILE A 63 -0.336 -0.456 0.517 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.875 0.354 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.722 -2.305 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.415 -1.853 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.035 -1.035 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.800 -3.155 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.114 -2.042 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.321 -1.485 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.572 -3.299 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.925 -3.184 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.547 -4.014 -3.126 1.00 0.00 H new ATOM 931 N THR A 64 -2.914 1.400 -1.536 1.00 0.00 N ATOM 932 CA THR A 64 -4.141 2.062 -1.125 1.00 0.00 C ATOM 933 C THR A 64 -5.229 1.874 -2.184 1.00 0.00 C ATOM 934 O THR A 64 -4.997 2.116 -3.368 1.00 0.00 O ATOM 935 CB THR A 64 -3.814 3.530 -0.844 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.612 4.095 -2.137 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.464 3.706 -0.145 1.00 0.00 C ATOM 0 H THR A 64 -2.479 1.789 -2.372 1.00 0.00 H new ATOM 0 HA THR A 64 -4.541 1.622 -0.212 1.00 0.00 H new ATOM 0 HB THR A 64 -4.601 3.965 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.930 3.469 -2.821 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.281 4.766 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.476 3.177 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.672 3.301 -0.775 1.00 0.00 H new ATOM 945 N HIS A 65 -6.393 1.444 -1.720 1.00 0.00 N ATOM 946 CA HIS A 65 -7.518 1.221 -2.613 1.00 0.00 C ATOM 947 C HIS A 65 -8.750 1.956 -2.079 1.00 0.00 C ATOM 948 O HIS A 65 -9.063 1.870 -0.893 1.00 0.00 O ATOM 949 CB HIS A 65 -7.762 -0.276 -2.815 1.00 0.00 C ATOM 950 CG HIS A 65 -7.803 -1.071 -1.532 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.963 -1.250 -0.798 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.816 -1.731 -0.861 1.00 0.00 C ATOM 953 CE1 HIS A 65 -8.675 -1.986 0.265 1.00 0.00 C ATOM 954 NE2 HIS A 65 -7.344 -2.283 0.225 1.00 0.00 N ATOM 0 H HIS A 65 -6.582 1.244 -0.738 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.292 1.630 -3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.705 -0.412 -3.344 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.977 -0.678 -3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.781 -1.794 -1.162 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.372 -2.297 1.029 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.838 -2.838 0.915 1.00 0.00 H new ATOM 962 N ARG A 66 -9.415 2.662 -2.982 1.00 0.00 N ATOM 963 CA ARG A 66 -10.605 3.411 -2.618 1.00 0.00 C ATOM 964 C ARG A 66 -11.417 3.758 -3.867 1.00 0.00 C ATOM 965 O ARG A 66 -10.858 4.179 -4.878 1.00 0.00 O ATOM 966 CB ARG A 66 -10.240 4.701 -1.881 1.00 0.00 C ATOM 967 CG ARG A 66 -9.701 5.753 -2.852 1.00 0.00 C ATOM 968 CD ARG A 66 -9.009 6.892 -2.099 1.00 0.00 C ATOM 969 NE ARG A 66 -8.576 7.939 -3.051 1.00 0.00 N ATOM 970 CZ ARG A 66 -7.784 8.969 -2.725 1.00 0.00 C ATOM 971 NH1 ARG A 66 -7.333 9.096 -1.470 1.00 0.00 N ATOM 972 NH2 ARG A 66 -7.442 9.872 -3.655 1.00 0.00 N ATOM 0 H ARG A 66 -9.152 2.731 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.201 2.784 -1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.118 5.091 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.492 4.489 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.997 5.289 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.519 6.153 -3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.690 7.318 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.148 6.507 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.901 7.872 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.593 8.408 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.730 9.880 -1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.785 9.775 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.839 10.656 -3.407 1.00 0.00 H new ATOM 986 N LEU A 67 -12.724 3.568 -3.756 1.00 0.00 N ATOM 987 CA LEU A 67 -13.619 3.855 -4.864 1.00 0.00 C ATOM 988 C LEU A 67 -13.136 5.111 -5.592 1.00 0.00 C ATOM 989 O LEU A 67 -12.930 6.153 -4.970 1.00 0.00 O ATOM 990 CB LEU A 67 -15.066 3.946 -4.375 1.00 0.00 C ATOM 991 CG LEU A 67 -15.829 2.622 -4.289 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.574 2.333 -5.593 1.00 0.00 C ATOM 993 CD2 LEU A 67 -14.895 1.476 -3.896 1.00 0.00 C ATOM 0 H LEU A 67 -13.184 3.219 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.602 3.040 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.067 4.408 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.612 4.615 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.579 2.710 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.108 1.387 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.286 3.134 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.860 2.272 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.462 0.547 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.107 1.377 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.450 1.687 -2.924 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.422 -0.427 3.209 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.741 -1.633 3.649 1.00 0.00 C ATOM 1141 C GLU A 78 -0.255 -1.562 3.294 1.00 0.00 C ATOM 1142 O GLU A 78 0.105 -1.163 2.188 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.390 -2.880 3.047 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.524 -4.118 3.285 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.333 -5.234 3.949 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.196 -4.889 4.786 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.071 -6.407 3.606 1.00 0.00 O ATOM 0 HA GLU A 78 -1.833 -1.704 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.375 -3.031 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.539 -2.736 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.120 -4.472 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.674 -3.856 3.915 1.00 0.00 H new ATOM 1154 N VAL A 79 0.570 -1.956 4.254 1.00 0.00 N ATOM 1155 CA VAL A 79 2.009 -1.943 4.056 1.00 0.00 C ATOM 1156 C VAL A 79 2.478 -3.344 3.656 1.00 0.00 C ATOM 1157 O VAL A 79 2.194 -4.319 4.351 1.00 0.00 O ATOM 1158 CB VAL A 79 2.705 -1.416 5.313 1.00 0.00 C ATOM 1159 CG1 VAL A 79 4.098 -2.030 5.466 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.778 0.112 5.298 1.00 0.00 C ATOM 0 H VAL A 79 0.269 -2.286 5.171 1.00 0.00 H new ATOM 0 HA VAL A 79 2.277 -1.267 3.244 1.00 0.00 H new ATOM 0 HB VAL A 79 2.111 -1.715 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.571 -1.639 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.011 -3.114 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.705 -1.775 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.277 0.461 6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.339 0.441 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.770 0.524 5.258 1.00 0.00 H new ATOM 1170 N LEU A 80 3.188 -3.399 2.539 1.00 0.00 N ATOM 1171 CA LEU A 80 3.698 -4.664 2.039 1.00 0.00 C ATOM 1172 C LEU A 80 5.210 -4.726 2.270 1.00 0.00 C ATOM 1173 O LEU A 80 5.824 -3.732 2.654 1.00 0.00 O ATOM 1174 CB LEU A 80 3.291 -4.867 0.578 1.00 0.00 C ATOM 1175 CG LEU A 80 1.814 -5.182 0.332 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.276 -4.390 -0.861 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.595 -6.687 0.167 1.00 0.00 C ATOM 0 H LEU A 80 3.422 -2.588 1.966 1.00 0.00 H new ATOM 0 HA LEU A 80 3.256 -5.496 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.548 -3.966 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.889 -5.679 0.164 1.00 0.00 H new ATOM 0 HG LEU A 80 1.247 -4.868 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.224 -4.632 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.378 -3.323 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.842 -4.650 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.537 -6.884 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.175 -7.048 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.916 -7.203 1.072 1.00 0.00 H new ATOM 1189 N ALA A 81 5.765 -5.904 2.026 1.00 0.00 N ATOM 1190 CA ALA A 81 7.193 -6.109 2.202 1.00 0.00 C ATOM 1191 C ALA A 81 7.943 -5.477 1.027 1.00 0.00 C ATOM 1192 O ALA A 81 7.336 -5.116 0.020 1.00 0.00 O ATOM 1193 CB ALA A 81 7.481 -7.605 2.341 1.00 0.00 C ATOM 0 H ALA A 81 5.252 -6.726 1.708 1.00 0.00 H new ATOM 0 HA ALA A 81 7.541 -5.624 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.552 -7.759 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.949 -7.999 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.148 -8.125 1.443 1.00 0.00 H new ATOM 1199 N PRO A 82 9.287 -5.361 1.200 1.00 0.00 N ATOM 1200 CA PRO A 82 10.127 -4.780 0.166 1.00 0.00 C ATOM 1201 C PRO A 82 10.325 -5.758 -0.994 1.00 0.00 C ATOM 1202 O PRO A 82 10.948 -5.417 -1.999 1.00 0.00 O ATOM 1203 CB PRO A 82 11.426 -4.421 0.869 1.00 0.00 C ATOM 1204 CG PRO A 82 11.442 -5.233 2.154 1.00 0.00 C ATOM 1205 CD PRO A 82 10.041 -5.778 2.379 1.00 0.00 C ATOM 0 HA PRO A 82 9.680 -3.897 -0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.287 -4.660 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.473 -3.353 1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.162 -6.048 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.749 -4.611 2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.050 -6.863 2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.602 -5.376 3.292 1.00 0.00 H new ATOM 1213 N SER A 83 9.785 -6.955 -0.815 1.00 0.00 N ATOM 1214 CA SER A 83 9.895 -7.985 -1.834 1.00 0.00 C ATOM 1215 C SER A 83 8.503 -8.380 -2.331 1.00 0.00 C ATOM 1216 O SER A 83 8.260 -9.545 -2.644 1.00 0.00 O ATOM 1217 CB SER A 83 10.637 -9.211 -1.300 1.00 0.00 C ATOM 1218 OG SER A 83 11.459 -9.814 -2.295 1.00 0.00 O ATOM 0 H SER A 83 9.270 -7.234 0.020 1.00 0.00 H new ATOM 0 HA SER A 83 10.470 -7.582 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.253 -8.920 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.915 -9.941 -0.935 1.00 0.00 H new ATOM 0 HG SER A 83 11.917 -10.592 -1.914 1.00 0.00 H new ATOM 1224 N ALA A 84 7.625 -7.389 -2.386 1.00 0.00 N ATOM 1225 CA ALA A 84 6.264 -7.620 -2.839 1.00 0.00 C ATOM 1226 C ALA A 84 6.111 -7.096 -4.268 1.00 0.00 C ATOM 1227 O ALA A 84 6.339 -5.916 -4.529 1.00 0.00 O ATOM 1228 CB ALA A 84 5.284 -6.958 -1.868 1.00 0.00 C ATOM 0 H ALA A 84 7.830 -6.425 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 84 6.040 -8.687 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.263 -7.131 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.413 -7.385 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.477 -5.886 -1.831 1.00 0.00 H new ATOM 1234 N ARG A 85 5.726 -8.000 -5.158 1.00 0.00 N ATOM 1235 CA ARG A 85 5.540 -7.644 -6.554 1.00 0.00 C ATOM 1236 C ARG A 85 4.049 -7.582 -6.892 1.00 0.00 C ATOM 1237 O ARG A 85 3.666 -7.037 -7.926 1.00 0.00 O ATOM 1238 CB ARG A 85 6.224 -8.655 -7.476 1.00 0.00 C ATOM 1239 CG ARG A 85 7.098 -7.948 -8.514 1.00 0.00 C ATOM 1240 CD ARG A 85 8.533 -7.790 -8.007 1.00 0.00 C ATOM 1241 NE ARG A 85 9.386 -8.863 -8.564 1.00 0.00 N ATOM 1242 CZ ARG A 85 9.607 -9.045 -9.873 1.00 0.00 C ATOM 1243 NH1 ARG A 85 9.038 -8.227 -10.768 1.00 0.00 N ATOM 1244 NH2 ARG A 85 10.396 -10.046 -10.287 1.00 0.00 N ATOM 0 H ARG A 85 5.538 -8.978 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 85 5.992 -6.664 -6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.835 -9.336 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.471 -9.260 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.098 -8.517 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.679 -6.968 -8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.925 -6.815 -8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.549 -7.829 -6.918 1.00 0.00 H new ATOM 0 HE ARG A 85 9.834 -9.505 -7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.437 -7.466 -10.453 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.206 -8.365 -11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.829 -10.670 -9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.564 -10.184 -11.284 1.00 0.00 H new ATOM 1258 N GLN A 86 3.249 -8.149 -6.001 1.00 0.00 N ATOM 1259 CA GLN A 86 1.809 -8.165 -6.192 1.00 0.00 C ATOM 1260 C GLN A 86 1.094 -8.136 -4.839 1.00 0.00 C ATOM 1261 O GLN A 86 1.712 -8.367 -3.801 1.00 0.00 O ATOM 1262 CB GLN A 86 1.379 -9.382 -7.013 1.00 0.00 C ATOM 1263 CG GLN A 86 1.566 -10.675 -6.216 1.00 0.00 C ATOM 1264 CD GLN A 86 1.727 -11.876 -7.151 1.00 0.00 C ATOM 1265 OE1 GLN A 86 0.831 -12.686 -7.323 1.00 0.00 O ATOM 1266 NE2 GLN A 86 2.916 -11.946 -7.742 1.00 0.00 N ATOM 0 H GLN A 86 3.571 -8.601 -5.145 1.00 0.00 H new ATOM 0 HA GLN A 86 1.526 -7.273 -6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.334 -9.278 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.963 -9.430 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.443 -10.588 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.708 -10.831 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.622 -11.234 -7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.122 -12.712 -8.384 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.199 -7.849 -4.895 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.004 -7.787 -3.688 1.00 0.00 C ATOM 1277 C TYR A 87 -2.454 -8.181 -3.975 1.00 0.00 C ATOM 1278 O TYR A 87 -2.990 -7.861 -5.035 1.00 0.00 O ATOM 1279 CB TYR A 87 -0.966 -6.327 -3.231 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.063 -5.960 -2.229 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -1.878 -6.204 -0.883 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.237 -5.385 -2.671 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -2.910 -5.858 0.060 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.269 -5.039 -1.728 1.00 0.00 C ATOM 1285 CZ TYR A 87 -4.054 -5.293 -0.409 1.00 0.00 C ATOM 1286 OH TYR A 87 -5.029 -4.967 0.481 1.00 0.00 O ATOM 0 H TYR A 87 -0.708 -7.657 -5.758 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.618 -8.472 -2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.006 -6.123 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.055 -5.681 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.959 -6.654 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.382 -5.194 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.778 -6.043 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.192 -4.588 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.788 -4.571 0.004 1.00 0.00 H new ATOM 1296 N THR A 88 -3.048 -8.871 -3.013 1.00 0.00 N ATOM 1297 CA THR A 88 -4.426 -9.313 -3.149 1.00 0.00 C ATOM 1298 C THR A 88 -5.358 -8.408 -2.341 1.00 0.00 C ATOM 1299 O THR A 88 -5.202 -8.275 -1.128 1.00 0.00 O ATOM 1300 CB THR A 88 -4.494 -10.783 -2.732 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.475 -11.411 -3.506 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.785 -11.463 -3.193 1.00 0.00 C ATOM 0 H THR A 88 -2.600 -9.135 -2.135 1.00 0.00 H new ATOM 0 HA THR A 88 -4.766 -9.237 -4.182 1.00 0.00 H new ATOM 0 HB THR A 88 -4.412 -10.857 -1.648 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.448 -12.368 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.783 -12.504 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.642 -10.950 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.851 -11.419 -4.280 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.307 -7.810 -3.046 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.265 -6.922 -2.409 1.00 0.00 C ATOM 1312 C ALA A 89 -8.609 -7.640 -2.275 1.00 0.00 C ATOM 1313 O ALA A 89 -9.242 -7.972 -3.277 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.374 -5.626 -3.215 1.00 0.00 C ATOM 0 H ALA A 89 -6.433 -7.923 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.933 -6.655 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.093 -4.960 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.399 -5.140 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.708 -5.854 -4.227 1.00 0.00 H new ATOM 1320 N THR A 90 -9.006 -7.858 -1.030 1.00 0.00 N ATOM 1321 CA THR A 90 -10.264 -8.531 -0.753 1.00 0.00 C ATOM 1322 C THR A 90 -11.241 -7.573 -0.067 1.00 0.00 C ATOM 1323 O THR A 90 -10.837 -6.531 0.446 1.00 0.00 O ATOM 1324 CB THR A 90 -9.959 -9.782 0.074 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.264 -9.284 1.214 1.00 0.00 O ATOM 1326 CG2 THR A 90 -8.944 -10.701 -0.609 1.00 0.00 C ATOM 0 H THR A 90 -8.479 -7.581 -0.202 1.00 0.00 H new ATOM 0 HA THR A 90 -10.756 -8.844 -1.674 1.00 0.00 H new ATOM 0 HB THR A 90 -10.883 -10.332 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.029 -10.029 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.763 -11.573 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.336 -11.023 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.009 -10.162 -0.760 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.508 -7.961 -0.082 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.545 -7.150 0.532 1.00 0.00 C ATOM 1336 C GLY A 91 -13.708 -5.819 -0.204 1.00 0.00 C ATOM 1337 O GLY A 91 -13.442 -4.758 0.358 1.00 0.00 O ATOM 0 H GLY A 91 -12.839 -8.826 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.490 -7.693 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.295 -6.964 1.577 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.145 -5.918 -1.451 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.347 -4.735 -2.270 1.00 0.00 C ATOM 1343 C LEU A 92 -15.786 -4.719 -2.790 1.00 0.00 C ATOM 1344 O LEU A 92 -16.463 -5.746 -2.784 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.293 -4.663 -3.376 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.885 -5.122 -2.992 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.159 -5.731 -4.193 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.088 -3.978 -2.361 1.00 0.00 C ATOM 0 H LEU A 92 -14.365 -6.800 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.213 -3.832 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.634 -5.268 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.234 -3.633 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.976 -5.905 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.161 -6.049 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.719 -6.592 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.079 -4.987 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.091 -4.331 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.006 -3.156 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.599 -3.631 -1.463 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.210 -3.543 -3.227 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.556 -3.379 -3.749 1.00 0.00 C ATOM 1362 C LYS A 93 -17.540 -3.591 -5.264 1.00 0.00 C ATOM 1363 O LYS A 93 -16.776 -2.943 -5.977 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.136 -2.029 -3.323 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.447 -1.739 -4.057 1.00 0.00 C ATOM 1366 CD LYS A 93 -19.481 -0.297 -4.567 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.461 0.697 -3.404 1.00 0.00 C ATOM 1368 NZ LYS A 93 -19.561 2.085 -3.906 1.00 0.00 N ATOM 0 H LYS A 93 -15.645 -2.694 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.222 -4.132 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.309 -2.027 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.416 -1.238 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.559 -2.428 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.289 -1.912 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -18.625 -0.118 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.377 -0.141 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -20.289 0.489 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.542 0.577 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.020 2.719 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.175 2.134 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -20.558 2.379 -3.917 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.415 -4.526 -5.723 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.509 -4.831 -7.140 1.00 0.00 C ATOM 1384 C PRO A 94 -19.245 -3.721 -7.893 1.00 0.00 C ATOM 1385 O PRO A 94 -19.924 -2.897 -7.283 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.224 -6.170 -7.208 1.00 0.00 C ATOM 1387 CG PRO A 94 -19.915 -6.342 -5.865 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.336 -5.313 -4.908 1.00 0.00 C ATOM 0 HA PRO A 94 -17.533 -4.891 -7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.947 -6.186 -8.024 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.519 -6.981 -7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -20.991 -6.204 -5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.759 -7.350 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.118 -4.687 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.819 -5.792 -4.077 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.086 -3.736 -9.208 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.728 -2.741 -10.051 1.00 0.00 C ATOM 1398 C GLU A 95 -19.242 -1.338 -9.680 1.00 0.00 C ATOM 1399 O GLU A 95 -20.040 -0.407 -9.578 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.251 -2.837 -9.951 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.800 -3.877 -10.931 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.903 -4.714 -10.280 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.749 -4.103 -9.593 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -22.875 -5.947 -10.486 1.00 0.00 O ATOM 0 H GLU A 95 -18.522 -4.421 -9.711 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.452 -2.939 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.536 -3.105 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.695 -1.864 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -22.193 -3.376 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.993 -4.529 -11.265 1.00 0.00 H new ATOM 1411 N SER A 96 -17.935 -1.231 -9.487 1.00 0.00 N ATOM 1412 CA SER A 96 -17.334 0.043 -9.129 1.00 0.00 C ATOM 1413 C SER A 96 -15.890 0.098 -9.631 1.00 0.00 C ATOM 1414 O SER A 96 -15.411 -0.843 -10.262 1.00 0.00 O ATOM 1415 CB SER A 96 -17.379 0.267 -7.616 1.00 0.00 C ATOM 1416 OG SER A 96 -18.422 1.163 -7.240 1.00 0.00 O ATOM 0 H SER A 96 -17.276 -2.005 -9.572 1.00 0.00 H new ATOM 0 HA SER A 96 -17.908 0.839 -9.604 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.523 -0.689 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.421 0.664 -7.280 1.00 0.00 H new ATOM 0 HG SER A 96 -19.258 0.664 -7.129 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.236 1.211 -9.332 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.856 1.402 -9.745 1.00 0.00 C ATOM 1424 C VAL A 97 -12.989 1.660 -8.510 1.00 0.00 C ATOM 1425 O VAL A 97 -13.327 2.498 -7.675 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.770 2.525 -10.781 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.356 2.636 -11.353 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -14.798 2.322 -11.895 1.00 0.00 C ATOM 0 H VAL A 97 -15.636 1.990 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.474 0.503 -10.228 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.002 3.464 -10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.322 3.441 -12.087 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.653 2.849 -10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.083 1.696 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.716 3.134 -12.618 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.611 1.371 -12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.801 2.316 -11.468 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.890 0.925 -8.434 1.00 0.00 N ATOM 1439 CA TYR A 98 -10.973 1.064 -7.316 1.00 0.00 C ATOM 1440 C TYR A 98 -9.601 1.549 -7.789 1.00 0.00 C ATOM 1441 O TYR A 98 -9.008 0.961 -8.692 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.826 -0.335 -6.714 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.883 -0.673 -5.660 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.221 -0.664 -5.997 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.497 -0.987 -4.372 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.215 -0.981 -5.005 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.491 -1.305 -3.380 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.801 -1.286 -3.746 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.740 -1.586 -2.809 1.00 0.00 O ATOM 0 H TYR A 98 -11.614 0.231 -9.129 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.352 1.791 -6.597 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.878 -1.072 -7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.837 -0.424 -6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.523 -0.419 -7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.450 -0.994 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.266 -0.977 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.203 -1.553 -2.369 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.577 -1.056 -2.001 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.136 2.617 -7.157 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.845 3.187 -7.502 1.00 0.00 C ATOM 1461 C LEU A 99 -6.770 2.596 -6.587 1.00 0.00 C ATOM 1462 O LEU A 99 -6.775 2.836 -5.381 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.908 4.715 -7.468 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.562 5.442 -7.438 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.893 5.300 -6.069 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.654 4.962 -8.572 1.00 0.00 C ATOM 0 H LEU A 99 -9.630 3.102 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.574 2.924 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.463 5.055 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.480 5.016 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.744 6.505 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.938 5.826 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.539 5.728 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.725 4.245 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.704 5.495 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.475 3.892 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.135 5.157 -9.531 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.874 1.833 -7.197 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.795 1.206 -6.453 1.00 0.00 C ATOM 1480 C PHE A 100 -3.522 2.052 -6.515 1.00 0.00 C ATOM 1481 O PHE A 100 -2.957 2.251 -7.589 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.526 -0.149 -7.111 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.373 -1.293 -6.550 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.696 -1.373 -6.854 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.803 -2.230 -5.746 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.482 -2.434 -6.333 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.588 -3.292 -5.225 1.00 0.00 C ATOM 1488 CZ PHE A 100 -6.911 -3.372 -5.529 1.00 0.00 C ATOM 0 H PHE A 100 -5.874 1.635 -8.198 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.078 1.100 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.712 -0.065 -8.182 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.472 -0.398 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.149 -0.629 -7.492 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.752 -2.166 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.533 -2.497 -6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.134 -4.036 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.508 -4.180 -5.133 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.107 2.525 -5.349 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.911 3.345 -5.257 1.00 0.00 C ATOM 1500 C ARG A 101 -0.761 2.540 -4.647 1.00 0.00 C ATOM 1501 O ARG A 101 -0.795 2.202 -3.465 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.161 4.591 -4.406 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.411 5.800 -4.969 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.315 7.033 -5.015 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.952 7.243 -3.695 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.698 8.311 -3.382 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -3.905 9.273 -4.291 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -4.236 8.417 -2.160 1.00 0.00 N ATOM 0 H ARG A 101 -3.578 2.356 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.645 3.657 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.229 4.805 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.841 4.405 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.536 6.009 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.048 5.573 -5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.732 7.912 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.080 6.905 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.814 6.530 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.495 9.192 -5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.473 10.086 -4.053 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.078 7.685 -1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.804 9.230 -1.922 1.00 0.00 H new ATOM 1522 N ILE A 102 0.229 2.257 -5.480 1.00 0.00 N ATOM 1523 CA ILE A 102 1.386 1.499 -5.038 1.00 0.00 C ATOM 1524 C ILE A 102 2.518 2.465 -4.681 1.00 0.00 C ATOM 1525 O ILE A 102 2.764 3.431 -5.401 1.00 0.00 O ATOM 1526 CB ILE A 102 1.777 0.456 -6.086 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.687 -0.608 -6.233 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.140 -0.161 -5.766 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.664 -1.177 -7.653 1.00 0.00 C ATOM 0 H ILE A 102 0.254 2.540 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 102 1.149 0.936 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 102 1.870 0.958 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.860 -1.412 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.284 -0.174 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.393 -0.899 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.899 0.621 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.100 -0.645 -4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.119 -1.931 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.467 -0.374 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.629 -1.632 -7.878 1.00 0.00 H new ATOM 1541 N THR A 103 3.176 2.171 -3.569 1.00 0.00 N ATOM 1542 CA THR A 103 4.275 3.001 -3.108 1.00 0.00 C ATOM 1543 C THR A 103 5.317 2.150 -2.379 1.00 0.00 C ATOM 1544 O THR A 103 4.994 1.091 -1.843 1.00 0.00 O ATOM 1545 CB THR A 103 3.692 4.120 -2.243 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.568 4.583 -2.986 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.614 5.339 -2.163 1.00 0.00 C ATOM 0 H THR A 103 2.969 1.369 -2.974 1.00 0.00 H new ATOM 0 HA THR A 103 4.803 3.459 -3.945 1.00 0.00 H new ATOM 0 HB THR A 103 3.503 3.741 -1.238 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.129 5.310 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.153 6.103 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.570 5.044 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.776 5.739 -3.164 1.00 0.00 H new ATOM 1555 N ALA A 104 6.546 2.645 -2.383 1.00 0.00 N ATOM 1556 CA ALA A 104 7.637 1.944 -1.728 1.00 0.00 C ATOM 1557 C ALA A 104 8.043 2.705 -0.465 1.00 0.00 C ATOM 1558 O ALA A 104 7.791 3.904 -0.350 1.00 0.00 O ATOM 1559 CB ALA A 104 8.800 1.780 -2.709 1.00 0.00 C ATOM 0 H ALA A 104 6.810 3.523 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 104 7.323 0.946 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.619 1.254 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.468 1.207 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.143 2.762 -3.034 1.00 0.00 H new ATOM 1565 N GLN A 105 8.665 1.978 0.452 1.00 0.00 N ATOM 1566 CA GLN A 105 9.108 2.571 1.703 1.00 0.00 C ATOM 1567 C GLN A 105 10.632 2.499 1.813 1.00 0.00 C ATOM 1568 O GLN A 105 11.209 1.412 1.790 1.00 0.00 O ATOM 1569 CB GLN A 105 8.438 1.891 2.899 1.00 0.00 C ATOM 1570 CG GLN A 105 9.031 2.393 4.217 1.00 0.00 C ATOM 1571 CD GLN A 105 8.566 1.529 5.391 1.00 0.00 C ATOM 1572 OE1 GLN A 105 8.585 0.310 5.344 1.00 0.00 O ATOM 1573 NE2 GLN A 105 8.150 2.226 6.444 1.00 0.00 N ATOM 0 H GLN A 105 8.873 0.984 0.354 1.00 0.00 H new ATOM 0 HA GLN A 105 8.812 3.620 1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.366 2.087 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.566 0.811 2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 105 10.119 2.379 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.734 3.429 4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.160 3.246 6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.821 1.741 7.279 1.00 0.00 H new ATOM 1582 N THR A 106 11.241 3.669 1.932 1.00 0.00 N ATOM 1583 CA THR A 106 12.687 3.753 2.047 1.00 0.00 C ATOM 1584 C THR A 106 13.079 4.487 3.331 1.00 0.00 C ATOM 1585 O THR A 106 12.214 4.941 4.079 1.00 0.00 O ATOM 1586 CB THR A 106 13.224 4.418 0.779 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.347 5.522 0.567 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.034 3.548 -0.465 1.00 0.00 C ATOM 0 H THR A 106 10.759 4.568 1.951 1.00 0.00 H new ATOM 0 HA THR A 106 13.135 2.763 2.127 1.00 0.00 H new ATOM 0 HB THR A 106 14.283 4.641 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 106 12.861 6.356 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.432 4.067 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.562 2.604 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.972 3.352 -0.613 1.00 0.00 H new ATOM 1596 N ARG A 107 14.383 4.580 3.547 1.00 0.00 N ATOM 1597 CA ARG A 107 14.899 5.251 4.728 1.00 0.00 C ATOM 1598 C ARG A 107 14.486 6.724 4.725 1.00 0.00 C ATOM 1599 O ARG A 107 14.488 7.375 5.769 1.00 0.00 O ATOM 1600 CB ARG A 107 16.425 5.157 4.791 1.00 0.00 C ATOM 1601 CG ARG A 107 17.071 5.947 3.651 1.00 0.00 C ATOM 1602 CD ARG A 107 18.594 5.975 3.796 1.00 0.00 C ATOM 1603 NE ARG A 107 19.001 7.127 4.632 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.265 7.379 4.999 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.252 6.564 4.605 1.00 0.00 N ATOM 1606 NH2 ARG A 107 20.541 8.448 5.758 1.00 0.00 N ATOM 0 H ARG A 107 15.097 4.202 2.925 1.00 0.00 H new ATOM 0 HA ARG A 107 14.478 4.754 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.777 5.540 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.731 4.112 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.802 5.498 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.684 6.966 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.942 5.046 4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.060 6.045 2.813 1.00 0.00 H new ATOM 0 HE ARG A 107 18.274 7.769 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.042 5.751 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.214 6.756 4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 107 19.789 9.070 6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.503 8.640 6.038 1.00 0.00 H new ATOM 1620 N LYS A 108 14.140 7.206 3.540 1.00 0.00 N ATOM 1621 CA LYS A 108 13.724 8.590 3.388 1.00 0.00 C ATOM 1622 C LYS A 108 12.234 8.709 3.711 1.00 0.00 C ATOM 1623 O LYS A 108 11.805 9.681 4.331 1.00 0.00 O ATOM 1624 CB LYS A 108 14.096 9.111 1.999 1.00 0.00 C ATOM 1625 CG LYS A 108 15.589 8.921 1.723 1.00 0.00 C ATOM 1626 CD LYS A 108 16.436 9.557 2.827 1.00 0.00 C ATOM 1627 CE LYS A 108 16.035 11.016 3.055 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.237 11.864 3.220 1.00 0.00 N ATOM 0 H LYS A 108 14.139 6.663 2.677 1.00 0.00 H new ATOM 0 HA LYS A 108 14.255 9.227 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.513 8.586 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.840 10.168 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.817 7.857 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.844 9.367 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.315 8.994 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.491 9.504 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.444 11.373 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.405 11.092 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.947 12.851 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.786 11.533 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.824 11.805 2.363 1.00 0.00 H new ATOM 1642 N GLY A 109 11.485 7.706 3.277 1.00 0.00 N ATOM 1643 CA GLY A 109 10.051 7.686 3.512 1.00 0.00 C ATOM 1644 C GLY A 109 9.317 6.985 2.367 1.00 0.00 C ATOM 1645 O GLY A 109 9.714 5.901 1.942 1.00 0.00 O ATOM 0 H GLY A 109 11.844 6.901 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.840 7.174 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.682 8.706 3.615 1.00 0.00 H new ATOM 1649 N TRP A 110 8.260 7.633 1.900 1.00 0.00 N ATOM 1650 CA TRP A 110 7.467 7.086 0.812 1.00 0.00 C ATOM 1651 C TRP A 110 7.621 8.011 -0.397 1.00 0.00 C ATOM 1652 O TRP A 110 7.228 9.176 -0.345 1.00 0.00 O ATOM 1653 CB TRP A 110 6.010 6.895 1.238 1.00 0.00 C ATOM 1654 CG TRP A 110 5.819 5.870 2.357 1.00 0.00 C ATOM 1655 CD1 TRP A 110 5.849 6.078 3.681 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.563 4.458 2.197 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.633 4.909 4.382 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.454 3.893 3.451 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.430 3.685 1.030 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.206 2.531 3.659 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.182 2.326 1.255 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.069 1.741 2.511 1.00 0.00 C ATOM 0 H TRP A 110 7.934 8.532 2.255 1.00 0.00 H new ATOM 0 HA TRP A 110 7.822 6.093 0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.609 7.854 1.565 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.426 6.585 0.371 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.021 7.040 4.141 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.609 4.809 5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.513 4.106 0.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.125 2.112 4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.071 1.687 0.392 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.876 0.682 2.601 1.00 0.00 H new ATOM 1673 N GLY A 111 8.192 7.458 -1.457 1.00 0.00 N ATOM 1674 CA GLY A 111 8.401 8.219 -2.677 1.00 0.00 C ATOM 1675 C GLY A 111 7.127 8.263 -3.521 1.00 0.00 C ATOM 1676 O GLY A 111 6.023 8.127 -2.994 1.00 0.00 O ATOM 0 H GLY A 111 8.516 6.492 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.712 9.234 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.209 7.771 -3.255 1.00 0.00 H new ATOM 1680 N GLU A 112 7.320 8.454 -4.818 1.00 0.00 N ATOM 1681 CA GLU A 112 6.200 8.518 -5.741 1.00 0.00 C ATOM 1682 C GLU A 112 5.258 7.334 -5.515 1.00 0.00 C ATOM 1683 O GLU A 112 5.605 6.386 -4.812 1.00 0.00 O ATOM 1684 CB GLU A 112 6.685 8.564 -7.191 1.00 0.00 C ATOM 1685 CG GLU A 112 6.077 9.754 -7.936 1.00 0.00 C ATOM 1686 CD GLU A 112 7.149 10.788 -8.286 1.00 0.00 C ATOM 1687 OE1 GLU A 112 7.851 11.218 -7.346 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.242 11.125 -9.486 1.00 0.00 O ATOM 0 H GLU A 112 8.236 8.567 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 112 5.648 9.438 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.773 8.634 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.416 7.637 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.590 9.407 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.307 10.218 -7.320 1.00 0.00 H new ATOM 1695 N ALA A 113 4.085 7.427 -6.124 1.00 0.00 N ATOM 1696 CA ALA A 113 3.091 6.375 -5.998 1.00 0.00 C ATOM 1697 C ALA A 113 2.429 6.139 -7.358 1.00 0.00 C ATOM 1698 O ALA A 113 2.030 7.088 -8.031 1.00 0.00 O ATOM 1699 CB ALA A 113 2.079 6.755 -4.916 1.00 0.00 C ATOM 0 H ALA A 113 3.801 8.215 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 113 3.560 5.440 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.333 5.966 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.595 6.883 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.587 7.688 -5.190 1.00 0.00 H new ATOM 1705 N ALA A 114 2.334 4.868 -7.721 1.00 0.00 N ATOM 1706 CA ALA A 114 1.728 4.496 -8.988 1.00 0.00 C ATOM 1707 C ALA A 114 0.229 4.267 -8.783 1.00 0.00 C ATOM 1708 O ALA A 114 -0.170 3.409 -7.998 1.00 0.00 O ATOM 1709 CB ALA A 114 2.435 3.261 -9.549 1.00 0.00 C ATOM 0 H ALA A 114 2.666 4.084 -7.160 1.00 0.00 H new ATOM 0 HA ALA A 114 1.843 5.297 -9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.980 2.982 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.491 3.485 -9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.339 2.435 -8.844 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.561 5.049 -9.504 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.007 4.943 -9.412 1.00 0.00 C ATOM 1717 C GLU A 115 -2.546 4.055 -10.536 1.00 0.00 C ATOM 1718 O GLU A 115 -2.272 4.299 -11.710 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.662 6.325 -9.442 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.181 7.185 -8.271 1.00 0.00 C ATOM 1721 CD GLU A 115 -1.418 8.414 -8.770 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -0.300 8.214 -9.291 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -1.971 9.525 -8.619 1.00 0.00 O ATOM 0 H GLU A 115 -0.226 5.759 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.258 4.480 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.428 6.822 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.746 6.219 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.035 7.501 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.538 6.593 -7.620 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.305 3.045 -10.136 1.00 0.00 N ATOM 1731 CA ALA A 116 -3.885 2.121 -11.095 1.00 0.00 C ATOM 1732 C ALA A 116 -5.340 1.842 -10.712 1.00 0.00 C ATOM 1733 O ALA A 116 -5.614 1.346 -9.620 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.042 0.845 -11.149 1.00 0.00 C ATOM 0 H ALA A 116 -3.531 2.847 -9.161 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.884 2.555 -12.095 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.477 0.152 -11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.025 1.093 -11.453 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.022 0.380 -10.163 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.235 2.173 -11.631 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.655 1.965 -11.403 1.00 0.00 C ATOM 1742 C LEU A 117 -8.037 0.552 -11.850 1.00 0.00 C ATOM 1743 O LEU A 117 -7.478 0.029 -12.813 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.473 3.066 -12.080 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.429 4.442 -11.412 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.140 5.541 -12.436 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.715 4.712 -10.628 1.00 0.00 C ATOM 0 H LEU A 117 -6.004 2.584 -12.536 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.885 2.037 -10.340 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.123 3.171 -13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.512 2.741 -12.129 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.608 4.447 -10.695 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.114 6.508 -11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.177 5.352 -12.910 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.923 5.546 -13.195 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.658 5.696 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.568 4.680 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.837 3.952 -9.856 1.00 0.00 H new ATOM 1759 N VAL A 118 -8.986 -0.025 -11.129 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.450 -1.367 -11.439 1.00 0.00 C ATOM 1761 C VAL A 118 -10.915 -1.505 -11.022 1.00 0.00 C ATOM 1762 O VAL A 118 -11.272 -1.203 -9.884 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.539 -2.402 -10.774 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.479 -2.186 -9.260 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -8.991 -3.824 -11.108 1.00 0.00 C ATOM 0 H VAL A 118 -9.447 0.412 -10.331 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.399 -1.550 -12.512 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.533 -2.269 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.825 -2.934 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.089 -1.190 -9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.480 -2.280 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.327 -4.540 -10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.010 -3.975 -10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.958 -3.972 -12.187 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.726 -1.960 -11.967 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.145 -2.142 -11.712 1.00 0.00 C ATOM 1777 C VAL A 119 -13.371 -3.508 -11.062 1.00 0.00 C ATOM 1778 O VAL A 119 -12.533 -4.401 -11.178 1.00 0.00 O ATOM 1779 CB VAL A 119 -13.937 -1.957 -13.008 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.276 -2.694 -12.941 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.141 -0.474 -13.319 1.00 0.00 C ATOM 0 H VAL A 119 -11.427 -2.208 -12.910 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.508 -1.387 -11.015 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.356 -2.392 -13.821 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.820 -2.547 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.098 -3.759 -12.789 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.866 -2.303 -12.112 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.707 -0.371 -14.245 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.691 -0.004 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.171 0.011 -13.430 1.00 0.00 H new ATOM 1791 N THR A 120 -14.508 -3.628 -10.392 1.00 0.00 N ATOM 1792 CA THR A 120 -14.855 -4.870 -9.724 1.00 0.00 C ATOM 1793 C THR A 120 -16.080 -5.507 -10.384 1.00 0.00 C ATOM 1794 O THR A 120 -17.175 -4.948 -10.339 1.00 0.00 O ATOM 1795 CB THR A 120 -15.055 -4.568 -8.237 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.705 -3.299 -8.225 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.733 -4.316 -7.508 1.00 0.00 C ATOM 0 H THR A 120 -15.200 -2.885 -10.298 1.00 0.00 H new ATOM 0 HA THR A 120 -14.055 -5.605 -9.817 1.00 0.00 H new ATOM 0 HB THR A 120 -15.578 -5.400 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 120 -15.787 -2.982 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.931 -4.107 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.099 -5.199 -7.589 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.226 -3.463 -7.958 1.00 0.00 H new ATOM 1805 N THR A 121 -15.854 -6.668 -10.981 1.00 0.00 N ATOM 1806 CA THR A 121 -16.925 -7.387 -11.649 1.00 0.00 C ATOM 1807 C THR A 121 -16.417 -8.728 -12.181 1.00 0.00 C ATOM 1808 O THR A 121 -15.215 -8.989 -12.171 1.00 0.00 O ATOM 1809 CB THR A 121 -17.496 -6.478 -12.739 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.473 -7.286 -13.389 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.477 -6.170 -13.838 1.00 0.00 C ATOM 0 H THR A 121 -14.945 -7.129 -11.016 1.00 0.00 H new ATOM 0 HA THR A 121 -17.729 -7.632 -10.955 1.00 0.00 H new ATOM 0 HB THR A 121 -17.839 -5.546 -12.290 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.895 -6.773 -14.110 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.933 -5.522 -14.586 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.612 -5.669 -13.403 1.00 0.00 H new ATOM 0 HG23 THR A 121 -16.158 -7.100 -14.310 1.00 0.00 H new