USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 106 CYS SG : rot 74:sc= -0.855 USER MOD Set 1.2: A 133 GLN : amide:sc= -0.952 X(o=-1.8,f=-1.5) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.048 USER MOD Set 2.2: A 101 SER OG : rot 16:sc= 0.764 USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 67 LYS NZ :NH3+ 172:sc= -0.447 (180deg=-0.839) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0317) USER MOD Single : A 60 GLN : amide:sc= -2.56 K(o=-2.6,f=-5.7!) USER MOD Single : A 61 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.89) USER MOD Single : A 71 GLN : amide:sc= -2.53 K(o=-2.5,f=-4.3!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.8) USER MOD Single : A 82 MET CE :methyl 172:sc= -2.2! (180deg=-2.26) USER MOD Single : A 86 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0246 (180deg=-0.226) USER MOD Single : A 96 GLN : amide:sc= -0.62 K(o=-0.62,f=-0.1) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0201 (180deg=-0.245) USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0183 USER MOD Single : A 100 MET CE :methyl -141:sc= -0.0364 (180deg=-0.108) USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= -0.0312 (180deg=-0.325) USER MOD Single : A 112 CYS SG : rot 110:sc= 0.00546 USER MOD Single : A 128 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.933 -7.565 6.722 1.00 0.00 N ATOM 414 CA GLY A 55 7.615 -8.152 5.577 1.00 0.00 C ATOM 415 C GLY A 55 8.087 -7.102 4.580 1.00 0.00 C ATOM 416 O GLY A 55 8.822 -7.418 3.643 1.00 0.00 O ATOM 0 HA2 GLY A 55 8.472 -8.729 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.943 -8.849 5.076 1.00 0.00 H new ATOM 420 N PHE A 56 7.668 -5.849 4.789 1.00 0.00 N ATOM 421 CA PHE A 56 8.055 -4.750 3.912 1.00 0.00 C ATOM 422 C PHE A 56 9.417 -4.213 4.333 1.00 0.00 C ATOM 423 O PHE A 56 10.316 -4.078 3.507 1.00 0.00 O ATOM 424 CB PHE A 56 7.010 -3.628 3.939 1.00 0.00 C ATOM 425 CG PHE A 56 7.200 -2.598 2.857 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.559 -2.976 1.571 1.00 0.00 C ATOM 427 CD2 PHE A 56 7.020 -1.251 3.127 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.734 -2.032 0.579 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.195 -0.301 2.138 1.00 0.00 C ATOM 430 CZ PHE A 56 7.552 -0.693 0.863 1.00 0.00 C ATOM 0 H PHE A 56 7.060 -5.575 5.561 1.00 0.00 H new ATOM 0 HA PHE A 56 8.115 -5.127 2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.017 -4.066 3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.046 -3.133 4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.703 -4.022 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.740 -0.939 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.013 -2.340 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.053 0.746 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.689 0.047 0.088 1.00 0.00 H new ATOM 440 N THR A 57 9.559 -3.921 5.628 1.00 0.00 N ATOM 441 CA THR A 57 10.817 -3.415 6.175 1.00 0.00 C ATOM 442 C THR A 57 11.968 -4.378 5.878 1.00 0.00 C ATOM 443 O THR A 57 13.091 -3.944 5.613 1.00 0.00 O ATOM 444 CB THR A 57 10.715 -3.190 7.698 1.00 0.00 C ATOM 445 OG1 THR A 57 9.672 -2.252 7.989 1.00 0.00 O ATOM 446 CG2 THR A 57 12.029 -2.680 8.266 1.00 0.00 C ATOM 0 H THR A 57 8.815 -4.027 6.318 1.00 0.00 H new ATOM 0 HA THR A 57 11.018 -2.459 5.692 1.00 0.00 H new ATOM 0 HB THR A 57 10.485 -4.148 8.163 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.614 -2.117 8.958 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.927 -2.531 9.341 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.816 -3.409 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.288 -1.734 7.791 1.00 0.00 H new ATOM 454 N LYS A 58 11.684 -5.680 5.923 1.00 0.00 N ATOM 455 CA LYS A 58 12.695 -6.697 5.633 1.00 0.00 C ATOM 456 C LYS A 58 13.202 -6.547 4.199 1.00 0.00 C ATOM 457 O LYS A 58 14.354 -6.863 3.902 1.00 0.00 O ATOM 458 CB LYS A 58 12.122 -8.101 5.841 1.00 0.00 C ATOM 459 CG LYS A 58 11.738 -8.394 7.283 1.00 0.00 C ATOM 460 CD LYS A 58 11.056 -9.748 7.416 1.00 0.00 C ATOM 461 CE LYS A 58 10.697 -10.058 8.863 1.00 0.00 C ATOM 462 NZ LYS A 58 9.618 -9.168 9.377 1.00 0.00 N ATOM 0 H LYS A 58 10.765 -6.055 6.157 1.00 0.00 H new ATOM 0 HA LYS A 58 13.529 -6.556 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.243 -8.223 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.856 -8.836 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.630 -8.372 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.072 -7.613 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.153 -9.762 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.714 -10.526 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.377 -11.097 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.584 -9.949 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.335 -9.479 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.967 -8.189 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.797 -9.214 8.740 1.00 0.00 H new ATOM 476 N GLU A 59 12.325 -6.066 3.320 1.00 0.00 N ATOM 477 CA GLU A 59 12.664 -5.841 1.922 1.00 0.00 C ATOM 478 C GLU A 59 13.326 -4.474 1.758 1.00 0.00 C ATOM 479 O GLU A 59 14.319 -4.334 1.042 1.00 0.00 O ATOM 480 CB GLU A 59 11.395 -5.933 1.065 1.00 0.00 C ATOM 481 CG GLU A 59 11.597 -5.566 -0.398 1.00 0.00 C ATOM 482 CD GLU A 59 11.474 -4.075 -0.654 1.00 0.00 C ATOM 483 OE1 GLU A 59 10.348 -3.544 -0.540 1.00 0.00 O ATOM 484 OE2 GLU A 59 12.499 -3.437 -0.969 1.00 0.00 O ATOM 0 H GLU A 59 11.364 -5.823 3.559 1.00 0.00 H new ATOM 0 HA GLU A 59 13.368 -6.605 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.006 -6.950 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.636 -5.277 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.582 -5.905 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.863 -6.096 -1.005 1.00 0.00 H new ATOM 491 N GLN A 60 12.767 -3.472 2.439 1.00 0.00 N ATOM 492 CA GLN A 60 13.278 -2.101 2.392 1.00 0.00 C ATOM 493 C GLN A 60 14.746 -2.026 2.814 1.00 0.00 C ATOM 494 O GLN A 60 15.485 -1.163 2.344 1.00 0.00 O ATOM 495 CB GLN A 60 12.439 -1.202 3.300 1.00 0.00 C ATOM 496 CG GLN A 60 10.958 -1.215 2.965 1.00 0.00 C ATOM 497 CD GLN A 60 10.600 -0.253 1.851 1.00 0.00 C ATOM 498 OE1 GLN A 60 10.579 -0.626 0.678 1.00 0.00 O ATOM 499 NE2 GLN A 60 10.318 0.995 2.212 1.00 0.00 N ATOM 0 H GLN A 60 11.949 -3.588 3.037 1.00 0.00 H new ATOM 0 HA GLN A 60 13.207 -1.758 1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.572 -1.519 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.810 -0.180 3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.664 -2.224 2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.386 -0.960 3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.348 1.260 3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.072 1.687 1.505 1.00 0.00 H new ATOM 508 N GLN A 61 15.159 -2.924 3.709 1.00 0.00 N ATOM 509 CA GLN A 61 16.544 -2.950 4.185 1.00 0.00 C ATOM 510 C GLN A 61 17.467 -3.653 3.186 1.00 0.00 C ATOM 511 O GLN A 61 18.615 -3.247 3.005 1.00 0.00 O ATOM 512 CB GLN A 61 16.629 -3.635 5.552 1.00 0.00 C ATOM 513 CG GLN A 61 16.420 -5.142 5.498 1.00 0.00 C ATOM 514 CD GLN A 61 16.447 -5.797 6.868 1.00 0.00 C ATOM 515 OE1 GLN A 61 17.089 -5.302 7.795 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.757 -6.925 6.998 1.00 0.00 N ATOM 0 H GLN A 61 14.558 -3.640 4.118 1.00 0.00 H new ATOM 0 HA GLN A 61 16.878 -1.917 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.605 -3.428 5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.882 -3.197 6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.464 -5.353 5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.194 -5.588 4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.239 -7.300 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.746 -7.416 7.892 1.00 0.00 H new ATOM 525 N ARG A 62 16.959 -4.703 2.542 1.00 0.00 N ATOM 526 CA ARG A 62 17.741 -5.461 1.563 1.00 0.00 C ATOM 527 C ARG A 62 18.036 -4.628 0.314 1.00 0.00 C ATOM 528 O ARG A 62 19.137 -4.694 -0.235 1.00 0.00 O ATOM 529 CB ARG A 62 17.001 -6.744 1.173 1.00 0.00 C ATOM 530 CG ARG A 62 16.845 -7.726 2.324 1.00 0.00 C ATOM 531 CD ARG A 62 15.821 -8.803 2.005 1.00 0.00 C ATOM 532 NE ARG A 62 15.505 -9.622 3.177 1.00 0.00 N ATOM 533 CZ ARG A 62 14.319 -10.204 3.390 1.00 0.00 C ATOM 534 NH1 ARG A 62 13.332 -10.077 2.506 1.00 0.00 N ATOM 535 NH2 ARG A 62 14.123 -10.918 4.494 1.00 0.00 N ATOM 0 H ARG A 62 16.009 -5.049 2.680 1.00 0.00 H new ATOM 0 HA ARG A 62 18.692 -5.720 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.014 -6.483 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.539 -7.232 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.807 -8.190 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.541 -7.189 3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.909 -8.337 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.202 -9.442 1.208 1.00 0.00 H new ATOM 0 HE ARG A 62 16.236 -9.758 3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.476 -9.532 1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.432 -10.525 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.875 -11.021 5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.220 -11.363 4.660 1.00 0.00 H new ATOM 549 N LEU A 63 17.051 -3.844 -0.125 1.00 0.00 N ATOM 550 CA LEU A 63 17.195 -2.999 -1.310 1.00 0.00 C ATOM 551 C LEU A 63 17.643 -1.579 -0.951 1.00 0.00 C ATOM 552 O LEU A 63 18.358 -0.941 -1.725 1.00 0.00 O ATOM 553 CB LEU A 63 15.872 -2.945 -2.078 1.00 0.00 C ATOM 554 CG LEU A 63 15.500 -4.232 -2.819 1.00 0.00 C ATOM 555 CD1 LEU A 63 15.078 -5.321 -1.844 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.397 -3.963 -3.831 1.00 0.00 C ATOM 0 H LEU A 63 16.139 -3.777 0.326 1.00 0.00 H new ATOM 0 HA LEU A 63 17.969 -3.443 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.073 -2.703 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.921 -2.130 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 63 16.383 -4.583 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.819 -6.224 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.900 -5.537 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.212 -4.984 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.145 -4.888 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.515 -3.584 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.740 -3.224 -4.555 1.00 0.00 H new ATOM 568 N GLY A 64 17.225 -1.090 0.219 1.00 0.00 N ATOM 569 CA GLY A 64 17.593 0.255 0.641 1.00 0.00 C ATOM 570 C GLY A 64 16.448 1.256 0.526 1.00 0.00 C ATOM 571 O GLY A 64 16.620 2.431 0.857 1.00 0.00 O ATOM 0 H GLY A 64 16.640 -1.600 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.936 0.223 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.432 0.601 0.037 1.00 0.00 H new ATOM 575 N ILE A 65 15.282 0.795 0.055 1.00 0.00 N ATOM 576 CA ILE A 65 14.111 1.662 -0.096 1.00 0.00 C ATOM 577 C ILE A 65 13.770 2.356 1.227 1.00 0.00 C ATOM 578 O ILE A 65 13.653 1.701 2.265 1.00 0.00 O ATOM 579 CB ILE A 65 12.874 0.875 -0.584 1.00 0.00 C ATOM 580 CG1 ILE A 65 13.193 0.105 -1.870 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.698 1.818 -0.808 1.00 0.00 C ATOM 582 CD1 ILE A 65 12.026 -0.701 -2.398 1.00 0.00 C ATOM 0 H ILE A 65 15.127 -0.173 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 65 14.369 2.410 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 65 12.601 0.155 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.513 0.811 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.032 -0.565 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.835 1.248 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.452 2.321 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.965 2.560 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.324 -1.219 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.720 -1.431 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.192 -0.034 -2.617 1.00 0.00 H new ATOM 594 N PRO A 66 13.609 3.694 1.204 1.00 0.00 N ATOM 595 CA PRO A 66 13.290 4.476 2.404 1.00 0.00 C ATOM 596 C PRO A 66 11.812 4.398 2.788 1.00 0.00 C ATOM 597 O PRO A 66 10.996 3.844 2.048 1.00 0.00 O ATOM 598 CB PRO A 66 13.659 5.899 1.988 1.00 0.00 C ATOM 599 CG PRO A 66 13.411 5.934 0.520 1.00 0.00 C ATOM 600 CD PRO A 66 13.726 4.552 0.006 1.00 0.00 C ATOM 0 HA PRO A 66 13.822 4.112 3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.050 6.636 2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.700 6.123 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.376 6.202 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.040 6.682 0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.028 4.247 -0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.726 4.504 -0.424 1.00 0.00 H new ATOM 608 N LYS A 67 11.475 4.960 3.948 1.00 0.00 N ATOM 609 CA LYS A 67 10.095 4.969 4.430 1.00 0.00 C ATOM 610 C LYS A 67 9.446 6.332 4.174 1.00 0.00 C ATOM 611 O LYS A 67 8.823 6.915 5.065 1.00 0.00 O ATOM 612 CB LYS A 67 10.054 4.633 5.925 1.00 0.00 C ATOM 613 CG LYS A 67 10.494 3.212 6.247 1.00 0.00 C ATOM 614 CD LYS A 67 9.487 2.189 5.744 1.00 0.00 C ATOM 615 CE LYS A 67 9.886 0.774 6.134 1.00 0.00 C ATOM 616 NZ LYS A 67 8.889 -0.230 5.674 1.00 0.00 N ATOM 0 H LYS A 67 12.140 5.416 4.572 1.00 0.00 H new ATOM 0 HA LYS A 67 9.533 4.211 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.694 5.332 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.039 4.782 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.467 3.020 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.617 3.103 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.502 2.416 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.407 2.259 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.861 0.540 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.991 0.712 7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.260 -1.188 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.002 -0.107 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.707 -0.098 4.659 1.00 0.00 H new ATOM 630 N ASP A 68 9.596 6.833 2.946 1.00 0.00 N ATOM 631 CA ASP A 68 9.037 8.127 2.569 1.00 0.00 C ATOM 632 C ASP A 68 8.472 8.092 1.149 1.00 0.00 C ATOM 633 O ASP A 68 9.227 8.082 0.176 1.00 0.00 O ATOM 634 CB ASP A 68 10.108 9.217 2.674 1.00 0.00 C ATOM 635 CG ASP A 68 10.654 9.362 4.081 1.00 0.00 C ATOM 636 OD1 ASP A 68 10.064 10.127 4.872 1.00 0.00 O ATOM 637 OD2 ASP A 68 11.673 8.709 4.393 1.00 0.00 O ATOM 0 H ASP A 68 10.101 6.359 2.197 1.00 0.00 H new ATOM 0 HA ASP A 68 8.222 8.353 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.926 8.984 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.686 10.169 2.352 1.00 0.00 H new ATOM 642 N PRO A 69 7.130 8.073 1.015 1.00 0.00 N ATOM 643 CA PRO A 69 6.465 8.045 -0.293 1.00 0.00 C ATOM 644 C PRO A 69 6.763 9.289 -1.124 1.00 0.00 C ATOM 645 O PRO A 69 6.910 9.202 -2.339 1.00 0.00 O ATOM 646 CB PRO A 69 4.975 7.966 0.052 1.00 0.00 C ATOM 647 CG PRO A 69 4.875 8.468 1.450 1.00 0.00 C ATOM 648 CD PRO A 69 6.160 8.085 2.123 1.00 0.00 C ATOM 0 HA PRO A 69 6.811 7.210 -0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.380 8.574 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.605 6.944 -0.027 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.733 9.549 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.020 8.027 1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.439 8.802 2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.087 7.110 2.605 1.00 0.00 H new ATOM 656 N ARG A 70 6.852 10.450 -0.471 1.00 0.00 N ATOM 657 CA ARG A 70 7.159 11.693 -1.176 1.00 0.00 C ATOM 658 C ARG A 70 8.615 11.679 -1.650 1.00 0.00 C ATOM 659 O ARG A 70 8.939 12.239 -2.699 1.00 0.00 O ATOM 660 CB ARG A 70 6.901 12.913 -0.284 1.00 0.00 C ATOM 661 CG ARG A 70 5.456 13.053 0.174 1.00 0.00 C ATOM 662 CD ARG A 70 5.259 12.501 1.579 1.00 0.00 C ATOM 663 NE ARG A 70 3.930 12.809 2.112 1.00 0.00 N ATOM 664 CZ ARG A 70 3.649 12.906 3.415 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.597 12.714 4.329 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.413 13.195 3.807 1.00 0.00 N ATOM 0 H ARG A 70 6.717 10.554 0.535 1.00 0.00 H new ATOM 0 HA ARG A 70 6.502 11.766 -2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.545 12.851 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.188 13.814 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.166 14.104 0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.801 12.526 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.402 11.421 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.019 12.916 2.241 1.00 0.00 H new ATOM 0 HE ARG A 70 3.171 12.959 1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.549 12.491 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.372 12.790 5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.679 13.343 3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.198 13.269 4.801 1.00 0.00 H new ATOM 680 N GLN A 71 9.484 11.028 -0.870 1.00 0.00 N ATOM 681 CA GLN A 71 10.901 10.909 -1.210 1.00 0.00 C ATOM 682 C GLN A 71 11.183 9.557 -1.876 1.00 0.00 C ATOM 683 O GLN A 71 12.187 8.903 -1.584 1.00 0.00 O ATOM 684 CB GLN A 71 11.768 11.067 0.045 1.00 0.00 C ATOM 685 CG GLN A 71 11.796 12.480 0.607 1.00 0.00 C ATOM 686 CD GLN A 71 10.498 12.875 1.288 1.00 0.00 C ATOM 687 OE1 GLN A 71 9.633 13.503 0.680 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.353 12.504 2.557 1.00 0.00 N ATOM 0 H GLN A 71 9.226 10.574 0.006 1.00 0.00 H new ATOM 0 HA GLN A 71 11.152 11.704 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.401 10.389 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.787 10.761 -0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.615 12.564 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.004 13.182 -0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.096 11.984 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.499 12.740 3.063 1.00 0.00 H new ATOM 697 N TRP A 72 10.287 9.149 -2.777 1.00 0.00 N ATOM 698 CA TRP A 72 10.423 7.883 -3.494 1.00 0.00 C ATOM 699 C TRP A 72 10.608 8.119 -4.992 1.00 0.00 C ATOM 700 O TRP A 72 10.413 9.235 -5.480 1.00 0.00 O ATOM 701 CB TRP A 72 9.175 7.024 -3.271 1.00 0.00 C ATOM 702 CG TRP A 72 9.342 5.954 -2.237 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.338 5.842 -1.310 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.472 4.839 -2.028 1.00 0.00 C ATOM 705 NE1 TRP A 72 10.139 4.724 -0.538 1.00 0.00 N ATOM 706 CE2 TRP A 72 9.000 4.091 -0.960 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.296 4.401 -2.642 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.390 2.930 -0.494 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.693 3.249 -2.180 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.240 2.525 -1.114 1.00 0.00 C ATOM 0 H TRP A 72 9.454 9.682 -3.027 1.00 0.00 H new ATOM 0 HA TRP A 72 11.303 7.368 -3.109 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.350 7.672 -2.977 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.894 6.559 -4.216 1.00 0.00 H new ATOM 0 HD1 TRP A 72 11.162 6.532 -1.200 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.741 4.415 0.225 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.866 4.954 -3.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.810 2.369 0.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.784 2.900 -2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.744 1.628 -0.774 1.00 0.00 H new ATOM 721 N THR A 73 10.982 7.066 -5.723 1.00 0.00 N ATOM 722 CA THR A 73 11.155 7.166 -7.170 1.00 0.00 C ATOM 723 C THR A 73 10.474 5.989 -7.876 1.00 0.00 C ATOM 724 O THR A 73 9.839 5.157 -7.227 1.00 0.00 O ATOM 725 CB THR A 73 12.650 7.235 -7.564 1.00 0.00 C ATOM 726 OG1 THR A 73 12.786 7.505 -8.965 1.00 0.00 O ATOM 727 CG2 THR A 73 13.365 5.934 -7.222 1.00 0.00 C ATOM 0 H THR A 73 11.169 6.140 -5.337 1.00 0.00 H new ATOM 0 HA THR A 73 10.683 8.094 -7.492 1.00 0.00 H new ATOM 0 HB THR A 73 13.108 8.045 -6.996 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.737 7.547 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.414 6.009 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.294 5.751 -6.150 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.899 5.110 -7.762 1.00 0.00 H new ATOM 735 N GLU A 74 10.607 5.923 -9.202 1.00 0.00 N ATOM 736 CA GLU A 74 9.989 4.855 -9.996 1.00 0.00 C ATOM 737 C GLU A 74 10.281 3.471 -9.418 1.00 0.00 C ATOM 738 O GLU A 74 9.376 2.648 -9.281 1.00 0.00 O ATOM 739 CB GLU A 74 10.472 4.912 -11.450 1.00 0.00 C ATOM 740 CG GLU A 74 10.096 6.194 -12.176 1.00 0.00 C ATOM 741 CD GLU A 74 11.142 7.283 -12.031 1.00 0.00 C ATOM 742 OE1 GLU A 74 12.174 7.213 -12.731 1.00 0.00 O ATOM 743 OE2 GLU A 74 10.927 8.206 -11.219 1.00 0.00 O ATOM 0 H GLU A 74 11.139 6.598 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 74 8.912 5.018 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.556 4.802 -11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.057 4.063 -11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.949 5.977 -13.234 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.144 6.558 -11.790 1.00 0.00 H new ATOM 750 N THR A 75 11.546 3.223 -9.080 1.00 0.00 N ATOM 751 CA THR A 75 11.955 1.931 -8.532 1.00 0.00 C ATOM 752 C THR A 75 11.280 1.648 -7.189 1.00 0.00 C ATOM 753 O THR A 75 10.721 0.571 -6.990 1.00 0.00 O ATOM 754 CB THR A 75 13.483 1.849 -8.352 1.00 0.00 C ATOM 755 OG1 THR A 75 14.143 2.242 -9.563 1.00 0.00 O ATOM 756 CG2 THR A 75 13.909 0.436 -7.977 1.00 0.00 C ATOM 0 H THR A 75 12.304 3.899 -9.176 1.00 0.00 H new ATOM 0 HA THR A 75 11.640 1.178 -9.255 1.00 0.00 H new ATOM 0 HB THR A 75 13.767 2.526 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.114 2.188 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.992 0.403 -7.855 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.430 0.148 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.611 -0.255 -8.765 1.00 0.00 H new ATOM 764 N HIS A 76 11.337 2.618 -6.274 1.00 0.00 N ATOM 765 CA HIS A 76 10.731 2.462 -4.949 1.00 0.00 C ATOM 766 C HIS A 76 9.218 2.268 -5.052 1.00 0.00 C ATOM 767 O HIS A 76 8.644 1.423 -4.363 1.00 0.00 O ATOM 768 CB HIS A 76 11.040 3.673 -4.065 1.00 0.00 C ATOM 769 CG HIS A 76 12.504 3.895 -3.827 1.00 0.00 C ATOM 770 ND1 HIS A 76 13.030 5.116 -3.466 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.553 3.040 -3.892 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.339 5.004 -3.321 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.681 3.754 -3.573 1.00 0.00 N ATOM 0 H HIS A 76 11.795 3.517 -6.425 1.00 0.00 H new ATOM 0 HA HIS A 76 11.164 1.571 -4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.618 4.565 -4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.541 3.546 -3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.510 1.992 -4.147 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.014 5.800 -3.043 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.629 3.380 -3.537 1.00 0.00 H new ATOM 782 N VAL A 77 8.583 3.060 -5.917 1.00 0.00 N ATOM 783 CA VAL A 77 7.140 2.984 -6.132 1.00 0.00 C ATOM 784 C VAL A 77 6.725 1.612 -6.660 1.00 0.00 C ATOM 785 O VAL A 77 5.844 0.958 -6.098 1.00 0.00 O ATOM 786 CB VAL A 77 6.673 4.065 -7.132 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.223 3.835 -7.543 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.843 5.453 -6.529 1.00 0.00 C ATOM 0 H VAL A 77 9.052 3.767 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 77 6.667 3.151 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 77 7.293 3.995 -8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.917 4.609 -8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.129 2.857 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.584 3.875 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.510 6.204 -7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.248 5.530 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.893 5.620 -6.290 1.00 0.00 H new ATOM 798 N ARG A 78 7.382 1.181 -7.740 1.00 0.00 N ATOM 799 CA ARG A 78 7.084 -0.100 -8.374 1.00 0.00 C ATOM 800 C ARG A 78 7.494 -1.277 -7.493 1.00 0.00 C ATOM 801 O ARG A 78 6.723 -2.223 -7.334 1.00 0.00 O ATOM 802 CB ARG A 78 7.778 -0.198 -9.733 1.00 0.00 C ATOM 803 CG ARG A 78 7.444 -1.470 -10.494 1.00 0.00 C ATOM 804 CD ARG A 78 8.233 -1.568 -11.790 1.00 0.00 C ATOM 805 NE ARG A 78 7.880 -2.763 -12.556 1.00 0.00 N ATOM 806 CZ ARG A 78 8.092 -2.902 -13.868 1.00 0.00 C ATOM 807 NH1 ARG A 78 8.668 -1.929 -14.568 1.00 0.00 N ATOM 808 NH2 ARG A 78 7.728 -4.024 -14.481 1.00 0.00 N ATOM 0 H ARG A 78 8.129 1.707 -8.194 1.00 0.00 H new ATOM 0 HA ARG A 78 6.005 -0.149 -8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.496 0.663 -10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.857 -0.145 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.660 -2.336 -9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.377 -1.494 -10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.047 -0.681 -12.396 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.299 -1.583 -11.565 1.00 0.00 H new ATOM 0 HE ARG A 78 7.445 -3.539 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.953 -1.066 -14.104 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.825 -2.045 -15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.288 -4.776 -13.950 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.888 -4.133 -15.482 1.00 0.00 H new ATOM 822 N ASP A 79 8.701 -1.226 -6.927 1.00 0.00 N ATOM 823 CA ASP A 79 9.173 -2.312 -6.069 1.00 0.00 C ATOM 824 C ASP A 79 8.196 -2.550 -4.919 1.00 0.00 C ATOM 825 O ASP A 79 7.948 -3.694 -4.533 1.00 0.00 O ATOM 826 CB ASP A 79 10.575 -2.023 -5.528 1.00 0.00 C ATOM 827 CG ASP A 79 11.189 -3.233 -4.851 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.978 -3.403 -3.631 1.00 0.00 O ATOM 829 OD2 ASP A 79 11.876 -4.014 -5.542 1.00 0.00 O ATOM 0 H ASP A 79 9.360 -0.457 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 79 9.227 -3.217 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.219 -1.701 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.525 -1.198 -4.818 1.00 0.00 H new ATOM 834 N TRP A 80 7.644 -1.461 -4.375 1.00 0.00 N ATOM 835 CA TRP A 80 6.672 -1.566 -3.292 1.00 0.00 C ATOM 836 C TRP A 80 5.399 -2.221 -3.826 1.00 0.00 C ATOM 837 O TRP A 80 4.988 -3.272 -3.339 1.00 0.00 O ATOM 838 CB TRP A 80 6.372 -0.190 -2.679 1.00 0.00 C ATOM 839 CG TRP A 80 5.052 -0.127 -1.968 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.730 -0.703 -0.773 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.873 0.547 -2.419 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.422 -0.430 -0.456 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.875 0.337 -1.450 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.564 1.307 -3.550 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.592 0.859 -1.578 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.291 1.826 -3.676 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.318 1.600 -2.694 1.00 0.00 C ATOM 0 H TRP A 80 7.854 -0.506 -4.666 1.00 0.00 H new ATOM 0 HA TRP A 80 7.088 -2.185 -2.497 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.166 0.068 -1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.387 0.562 -3.468 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.405 -1.288 -0.166 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.937 -0.747 0.383 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.308 1.485 -4.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.839 0.685 -0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.041 2.416 -4.546 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.331 2.020 -2.821 1.00 0.00 H new ATOM 858 N VAL A 81 4.767 -1.568 -4.811 1.00 0.00 N ATOM 859 CA VAL A 81 3.564 -2.102 -5.456 1.00 0.00 C ATOM 860 C VAL A 81 3.700 -3.607 -5.699 1.00 0.00 C ATOM 861 O VAL A 81 2.848 -4.389 -5.279 1.00 0.00 O ATOM 862 CB VAL A 81 3.287 -1.390 -6.804 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.214 -2.119 -7.601 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.882 0.056 -6.572 1.00 0.00 C ATOM 0 H VAL A 81 5.072 -0.666 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 81 2.727 -1.919 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 81 4.209 -1.405 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.041 -1.596 -8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.543 -3.138 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.289 -2.146 -7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.692 0.539 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.978 0.088 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.685 0.580 -6.055 1.00 0.00 H new ATOM 874 N MET A 82 4.787 -3.998 -6.370 1.00 0.00 N ATOM 875 CA MET A 82 5.059 -5.403 -6.668 1.00 0.00 C ATOM 876 C MET A 82 5.092 -6.234 -5.386 1.00 0.00 C ATOM 877 O MET A 82 4.504 -7.315 -5.322 1.00 0.00 O ATOM 878 CB MET A 82 6.392 -5.533 -7.408 1.00 0.00 C ATOM 879 CG MET A 82 6.608 -6.892 -8.052 1.00 0.00 C ATOM 880 SD MET A 82 8.059 -6.926 -9.122 1.00 0.00 S ATOM 881 CE MET A 82 7.618 -5.676 -10.328 1.00 0.00 C ATOM 0 H MET A 82 5.497 -3.354 -6.719 1.00 0.00 H new ATOM 0 HA MET A 82 4.257 -5.780 -7.303 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.445 -4.764 -8.179 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.205 -5.340 -6.708 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.717 -7.646 -7.273 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.726 -7.159 -8.633 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.472 -5.478 -10.975 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.781 -6.030 -10.930 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.332 -4.759 -9.813 1.00 0.00 H new ATOM 891 N TRP A 83 5.795 -5.721 -4.374 1.00 0.00 N ATOM 892 CA TRP A 83 5.899 -6.392 -3.081 1.00 0.00 C ATOM 893 C TRP A 83 4.509 -6.606 -2.468 1.00 0.00 C ATOM 894 O TRP A 83 4.259 -7.627 -1.827 1.00 0.00 O ATOM 895 CB TRP A 83 6.785 -5.569 -2.136 1.00 0.00 C ATOM 896 CG TRP A 83 6.773 -6.052 -0.718 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.646 -6.928 -0.139 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.838 -5.681 0.302 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.308 -7.127 1.177 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.202 -6.373 1.472 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.728 -4.831 0.339 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.496 -6.241 2.663 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.028 -4.702 1.522 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.415 -5.403 2.671 1.00 0.00 C ATOM 0 H TRP A 83 6.303 -4.838 -4.428 1.00 0.00 H new ATOM 0 HA TRP A 83 6.356 -7.370 -3.230 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.810 -5.587 -2.507 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.456 -4.530 -2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.480 -7.395 -0.642 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.800 -7.737 1.829 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.424 -4.285 -0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.791 -6.781 3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.168 -4.050 1.562 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.848 -5.279 3.582 1.00 0.00 H new ATOM 915 N ALA A 84 3.609 -5.640 -2.681 1.00 0.00 N ATOM 916 CA ALA A 84 2.244 -5.726 -2.163 1.00 0.00 C ATOM 917 C ALA A 84 1.417 -6.747 -2.952 1.00 0.00 C ATOM 918 O ALA A 84 0.407 -7.252 -2.461 1.00 0.00 O ATOM 919 CB ALA A 84 1.575 -4.360 -2.198 1.00 0.00 C ATOM 0 H ALA A 84 3.804 -4.790 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 84 2.297 -6.063 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.560 -4.442 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.143 -3.661 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.542 -3.997 -3.225 1.00 0.00 H new ATOM 925 N VAL A 85 1.860 -7.046 -4.178 1.00 0.00 N ATOM 926 CA VAL A 85 1.177 -8.014 -5.033 1.00 0.00 C ATOM 927 C VAL A 85 1.511 -9.440 -4.591 1.00 0.00 C ATOM 928 O VAL A 85 0.685 -10.342 -4.709 1.00 0.00 O ATOM 929 CB VAL A 85 1.565 -7.838 -6.519 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.892 -8.891 -7.385 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.208 -6.443 -7.005 1.00 0.00 C ATOM 0 H VAL A 85 2.691 -6.629 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 85 0.106 -7.836 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 85 2.644 -7.968 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.181 -8.745 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.202 -9.883 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.190 -8.800 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.489 -6.340 -8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.135 -6.285 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.744 -5.703 -6.411 1.00 0.00 H new ATOM 941 N ASN A 86 2.733 -9.630 -4.086 1.00 0.00 N ATOM 942 CA ASN A 86 3.182 -10.939 -3.615 1.00 0.00 C ATOM 943 C ASN A 86 2.676 -11.216 -2.197 1.00 0.00 C ATOM 944 O ASN A 86 2.329 -12.352 -1.868 1.00 0.00 O ATOM 945 CB ASN A 86 4.713 -11.015 -3.653 1.00 0.00 C ATOM 946 CG ASN A 86 5.244 -12.344 -3.148 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.390 -13.298 -3.914 1.00 0.00 O ATOM 948 ND2 ASN A 86 5.540 -12.415 -1.854 1.00 0.00 N ATOM 0 H ASN A 86 3.429 -8.890 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 86 2.769 -11.700 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.056 -10.856 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.128 -10.209 -3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.903 -13.283 -1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.404 -11.601 -1.254 1.00 0.00 H new ATOM 955 N GLU A 87 2.631 -10.172 -1.365 1.00 0.00 N ATOM 956 CA GLU A 87 2.172 -10.303 0.019 1.00 0.00 C ATOM 957 C GLU A 87 0.662 -10.540 0.085 1.00 0.00 C ATOM 958 O GLU A 87 0.190 -11.344 0.890 1.00 0.00 O ATOM 959 CB GLU A 87 2.530 -9.047 0.820 1.00 0.00 C ATOM 960 CG GLU A 87 4.026 -8.821 0.973 1.00 0.00 C ATOM 961 CD GLU A 87 4.665 -9.772 1.968 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.083 -10.873 1.552 1.00 0.00 O ATOM 963 OE2 GLU A 87 4.750 -9.412 3.161 1.00 0.00 O ATOM 0 H GLU A 87 2.907 -9.226 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 87 2.676 -11.167 0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.089 -8.178 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.080 -9.119 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.508 -8.940 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.203 -7.794 1.293 1.00 0.00 H new ATOM 970 N PHE A 88 -0.088 -9.837 -0.766 1.00 0.00 N ATOM 971 CA PHE A 88 -1.545 -9.965 -0.798 1.00 0.00 C ATOM 972 C PHE A 88 -2.025 -10.788 -2.000 1.00 0.00 C ATOM 973 O PHE A 88 -3.232 -10.903 -2.225 1.00 0.00 O ATOM 974 CB PHE A 88 -2.197 -8.579 -0.837 1.00 0.00 C ATOM 975 CG PHE A 88 -2.012 -7.781 0.423 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.917 -6.946 0.578 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.939 -7.860 1.451 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.749 -6.205 1.732 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.776 -7.124 2.608 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.680 -6.295 2.748 1.00 0.00 C ATOM 0 H PHE A 88 0.290 -9.173 -1.442 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.842 -10.490 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.783 -8.018 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.264 -8.696 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.186 -6.874 -0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.799 -8.505 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.108 -5.557 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.504 -7.196 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.551 -5.718 3.652 1.00 0.00 H new ATOM 990 N SER A 89 -1.084 -11.370 -2.760 1.00 0.00 N ATOM 991 CA SER A 89 -1.426 -12.161 -3.947 1.00 0.00 C ATOM 992 C SER A 89 -2.478 -11.438 -4.791 1.00 0.00 C ATOM 993 O SER A 89 -3.548 -11.980 -5.074 1.00 0.00 O ATOM 994 CB SER A 89 -1.926 -13.550 -3.537 1.00 0.00 C ATOM 995 OG SER A 89 -0.927 -14.265 -2.830 1.00 0.00 O ATOM 0 H SER A 89 -0.083 -11.307 -2.572 1.00 0.00 H new ATOM 0 HA SER A 89 -0.527 -12.282 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.815 -13.450 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.219 -14.111 -4.425 1.00 0.00 H new ATOM 0 HG SER A 89 -1.272 -15.147 -2.579 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.156 -10.206 -5.192 1.00 0.00 N ATOM 1002 CA LEU A 90 -3.075 -9.393 -5.983 1.00 0.00 C ATOM 1003 C LEU A 90 -3.006 -9.758 -7.466 1.00 0.00 C ATOM 1004 O LEU A 90 -2.117 -10.498 -7.893 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.767 -7.906 -5.781 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.818 -7.426 -4.326 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.555 -5.930 -4.243 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.161 -7.770 -3.697 1.00 0.00 C ATOM 0 H LEU A 90 -1.267 -9.753 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.089 -9.596 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.775 -7.698 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.476 -7.321 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.035 -7.941 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.596 -5.611 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.568 -5.711 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.312 -5.395 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.179 -7.422 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.960 -7.285 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.307 -8.850 -3.718 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.951 -9.230 -8.245 1.00 0.00 N ATOM 1021 CA LYS A 91 -4.005 -9.504 -9.679 1.00 0.00 C ATOM 1022 C LYS A 91 -4.633 -8.338 -10.446 1.00 0.00 C ATOM 1023 O LYS A 91 -5.508 -7.639 -9.930 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.794 -10.793 -9.950 1.00 0.00 C ATOM 1025 CG LYS A 91 -6.274 -10.707 -9.593 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.507 -10.844 -8.094 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.948 -10.530 -7.720 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.279 -9.090 -7.922 1.00 0.00 N ATOM 0 H LYS A 91 -4.688 -8.611 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.981 -9.631 -10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.701 -11.048 -11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.342 -11.608 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.675 -9.754 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.820 -11.491 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.261 -11.858 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.837 -10.172 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.620 -11.144 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.118 -10.798 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.166 -8.865 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.511 -8.501 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.391 -8.899 -8.938 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.174 -8.140 -11.682 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.698 -7.068 -12.516 1.00 0.00 C ATOM 1044 C GLY A 92 -3.965 -5.744 -12.345 1.00 0.00 C ATOM 1045 O GLY A 92 -4.203 -4.805 -13.109 1.00 0.00 O ATOM 0 H GLY A 92 -3.447 -8.704 -12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.641 -7.372 -13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.753 -6.922 -12.284 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.070 -5.659 -11.355 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.321 -4.431 -11.108 1.00 0.00 C ATOM 1051 C VAL A 93 -1.205 -4.261 -12.136 1.00 0.00 C ATOM 1052 O VAL A 93 -0.492 -5.215 -12.456 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.727 -4.397 -9.681 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.697 -5.500 -9.488 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.118 -3.033 -9.384 1.00 0.00 C ATOM 0 H VAL A 93 -2.850 -6.424 -10.717 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.024 -3.604 -11.202 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.540 -4.571 -8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.297 -5.451 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.169 -6.470 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.114 -5.370 -10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.706 -3.031 -8.375 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.324 -2.825 -10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.888 -2.266 -9.463 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.067 -3.043 -12.651 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.049 -2.744 -13.651 1.00 0.00 C ATOM 1067 C ASP A 94 1.053 -1.859 -13.076 1.00 0.00 C ATOM 1068 O ASP A 94 0.783 -0.920 -12.323 1.00 0.00 O ATOM 1069 CB ASP A 94 -0.689 -2.057 -14.856 1.00 0.00 C ATOM 1070 CG ASP A 94 -1.715 -2.933 -15.549 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -1.324 -3.713 -16.443 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -2.911 -2.839 -15.199 1.00 0.00 O ATOM 0 H ASP A 94 -1.649 -2.246 -12.391 1.00 0.00 H new ATOM 0 HA ASP A 94 0.402 -3.686 -13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.166 -1.132 -14.531 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.089 -1.782 -15.568 1.00 0.00 H new ATOM 1077 N PHE A 95 2.297 -2.167 -13.443 1.00 0.00 N ATOM 1078 CA PHE A 95 3.453 -1.398 -12.980 1.00 0.00 C ATOM 1079 C PHE A 95 3.746 -0.237 -13.931 1.00 0.00 C ATOM 1080 O PHE A 95 4.341 0.764 -13.527 1.00 0.00 O ATOM 1081 CB PHE A 95 4.683 -2.298 -12.838 1.00 0.00 C ATOM 1082 CG PHE A 95 4.462 -3.483 -11.939 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.320 -3.315 -10.570 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.396 -4.764 -12.462 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.115 -4.401 -9.743 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.191 -5.855 -11.639 1.00 0.00 C ATOM 1087 CZ PHE A 95 4.051 -5.673 -10.278 1.00 0.00 C ATOM 0 H PHE A 95 2.531 -2.945 -14.060 1.00 0.00 H new ATOM 0 HA PHE A 95 3.215 -0.987 -11.999 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.980 -2.652 -13.825 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.512 -1.707 -12.449 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.370 -2.323 -10.146 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.506 -4.912 -13.526 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.005 -4.256 -8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.140 -6.848 -12.060 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.892 -6.524 -9.632 1.00 0.00 H new ATOM 1097 N GLN A 96 3.333 -0.376 -15.196 1.00 0.00 N ATOM 1098 CA GLN A 96 3.520 0.683 -16.188 1.00 0.00 C ATOM 1099 C GLN A 96 2.759 1.938 -15.756 1.00 0.00 C ATOM 1100 O GLN A 96 3.205 3.061 -15.995 1.00 0.00 O ATOM 1101 CB GLN A 96 3.033 0.223 -17.567 1.00 0.00 C ATOM 1102 CG GLN A 96 3.750 -1.016 -18.092 1.00 0.00 C ATOM 1103 CD GLN A 96 5.261 -0.845 -18.190 1.00 0.00 C ATOM 1104 OE1 GLN A 96 6.013 -1.792 -17.964 1.00 0.00 O ATOM 1105 NE2 GLN A 96 5.716 0.356 -18.543 1.00 0.00 N ATOM 0 H GLN A 96 2.868 -1.210 -15.554 1.00 0.00 H new ATOM 0 HA GLN A 96 4.583 0.913 -16.257 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.964 0.017 -17.514 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.166 1.037 -18.279 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.529 -1.859 -17.438 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.355 -1.265 -19.077 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.061 1.117 -18.722 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.719 0.515 -18.634 1.00 0.00 H new ATOM 1114 N LYS A 97 1.607 1.725 -15.113 1.00 0.00 N ATOM 1115 CA LYS A 97 0.773 2.812 -14.607 1.00 0.00 C ATOM 1116 C LYS A 97 1.469 3.553 -13.466 1.00 0.00 C ATOM 1117 O LYS A 97 1.325 4.770 -13.329 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.564 2.254 -14.109 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.615 2.102 -15.200 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.171 1.132 -16.283 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.273 0.884 -17.302 1.00 0.00 C ATOM 1122 NZ LYS A 97 -3.455 0.208 -16.697 1.00 0.00 N ATOM 0 H LYS A 97 1.230 0.795 -14.930 1.00 0.00 H new ATOM 0 HA LYS A 97 0.600 3.514 -15.423 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.391 1.282 -13.647 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.954 2.911 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.548 1.752 -14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.819 3.075 -15.646 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.291 1.529 -16.788 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.878 0.187 -15.827 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.583 1.834 -17.738 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.883 0.272 -18.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.073 -0.153 -17.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.136 -0.584 -16.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.983 0.888 -16.113 1.00 0.00 H new ATOM 1136 N PHE A 98 2.224 2.813 -12.649 1.00 0.00 N ATOM 1137 CA PHE A 98 2.939 3.401 -11.517 1.00 0.00 C ATOM 1138 C PHE A 98 4.420 3.621 -11.842 1.00 0.00 C ATOM 1139 O PHE A 98 5.283 3.485 -10.970 1.00 0.00 O ATOM 1140 CB PHE A 98 2.795 2.506 -10.280 1.00 0.00 C ATOM 1141 CG PHE A 98 1.367 2.279 -9.869 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.528 3.350 -9.613 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.866 0.994 -9.739 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.785 3.147 -9.236 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.446 0.782 -9.362 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.272 1.861 -9.110 1.00 0.00 C ATOM 0 H PHE A 98 2.355 1.807 -12.752 1.00 0.00 H new ATOM 0 HA PHE A 98 2.495 4.375 -11.309 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.265 1.543 -10.481 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.337 2.958 -9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.905 4.357 -9.709 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.509 0.148 -9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.429 3.992 -9.040 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.825 -0.224 -9.264 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.298 1.698 -8.815 1.00 0.00 H new ATOM 1156 N CYS A 99 4.709 3.966 -13.099 1.00 0.00 N ATOM 1157 CA CYS A 99 6.081 4.215 -13.533 1.00 0.00 C ATOM 1158 C CYS A 99 6.442 5.688 -13.329 1.00 0.00 C ATOM 1159 O CYS A 99 6.619 6.439 -14.291 1.00 0.00 O ATOM 1160 CB CYS A 99 6.253 3.820 -15.004 1.00 0.00 C ATOM 1161 SG CYS A 99 7.955 3.926 -15.605 1.00 0.00 S ATOM 0 H CYS A 99 4.009 4.079 -13.833 1.00 0.00 H new ATOM 0 HA CYS A 99 6.755 3.606 -12.930 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.895 2.799 -15.139 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.622 4.463 -15.618 1.00 0.00 H new ATOM 0 HG CYS A 99 7.997 3.571 -16.855 1.00 0.00 H new ATOM 1167 N MET A 100 6.543 6.092 -12.062 1.00 0.00 N ATOM 1168 CA MET A 100 6.871 7.473 -11.714 1.00 0.00 C ATOM 1169 C MET A 100 7.385 7.563 -10.277 1.00 0.00 C ATOM 1170 O MET A 100 7.355 6.582 -9.532 1.00 0.00 O ATOM 1171 CB MET A 100 5.640 8.370 -11.889 1.00 0.00 C ATOM 1172 CG MET A 100 4.584 8.174 -10.809 1.00 0.00 C ATOM 1173 SD MET A 100 2.994 8.902 -11.244 1.00 0.00 S ATOM 1174 CE MET A 100 2.338 7.648 -12.341 1.00 0.00 C ATOM 0 H MET A 100 6.402 5.480 -11.259 1.00 0.00 H new ATOM 0 HA MET A 100 7.659 7.816 -12.384 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.958 9.413 -11.890 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.192 8.173 -12.863 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.452 7.108 -10.626 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.938 8.616 -9.877 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.818 8.126 -13.171 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.155 7.039 -12.728 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.641 7.014 -11.793 1.00 0.00 H new ATOM 1184 N SER A 101 7.853 8.750 -9.893 1.00 0.00 N ATOM 1185 CA SER A 101 8.368 8.971 -8.546 1.00 0.00 C ATOM 1186 C SER A 101 7.234 9.024 -7.526 1.00 0.00 C ATOM 1187 O SER A 101 6.086 9.312 -7.870 1.00 0.00 O ATOM 1188 CB SER A 101 9.184 10.265 -8.482 1.00 0.00 C ATOM 1189 OG SER A 101 10.367 10.164 -9.254 1.00 0.00 O ATOM 0 H SER A 101 7.885 9.572 -10.497 1.00 0.00 H new ATOM 0 HA SER A 101 9.018 8.131 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.580 11.097 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.441 10.485 -7.446 1.00 0.00 H new ATOM 0 HG SER A 101 10.299 9.394 -9.857 1.00 0.00 H new ATOM 1195 N GLY A 102 7.571 8.737 -6.269 1.00 0.00 N ATOM 1196 CA GLY A 102 6.589 8.756 -5.201 1.00 0.00 C ATOM 1197 C GLY A 102 5.904 10.104 -5.062 1.00 0.00 C ATOM 1198 O GLY A 102 4.703 10.166 -4.798 1.00 0.00 O ATOM 0 H GLY A 102 8.515 8.490 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.838 7.989 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.076 8.501 -4.260 1.00 0.00 H new ATOM 1202 N ALA A 103 6.672 11.184 -5.235 1.00 0.00 N ATOM 1203 CA ALA A 103 6.129 12.540 -5.150 1.00 0.00 C ATOM 1204 C ALA A 103 4.967 12.718 -6.127 1.00 0.00 C ATOM 1205 O ALA A 103 3.964 13.356 -5.802 1.00 0.00 O ATOM 1206 CB ALA A 103 7.218 13.564 -5.432 1.00 0.00 C ATOM 0 H ALA A 103 7.671 11.144 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 103 5.754 12.697 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.799 14.568 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.018 13.455 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.618 13.403 -6.433 1.00 0.00 H new ATOM 1212 N ALA A 104 5.111 12.141 -7.324 1.00 0.00 N ATOM 1213 CA ALA A 104 4.073 12.215 -8.350 1.00 0.00 C ATOM 1214 C ALA A 104 2.870 11.368 -7.951 1.00 0.00 C ATOM 1215 O ALA A 104 1.724 11.802 -8.074 1.00 0.00 O ATOM 1216 CB ALA A 104 4.618 11.753 -9.692 1.00 0.00 C ATOM 0 H ALA A 104 5.940 11.617 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 104 3.754 13.253 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.832 11.814 -10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.452 12.391 -9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.962 10.722 -9.610 1.00 0.00 H new ATOM 1222 N LEU A 105 3.149 10.152 -7.474 1.00 0.00 N ATOM 1223 CA LEU A 105 2.109 9.224 -7.037 1.00 0.00 C ATOM 1224 C LEU A 105 1.234 9.852 -5.951 1.00 0.00 C ATOM 1225 O LEU A 105 0.008 9.740 -5.993 1.00 0.00 O ATOM 1226 CB LEU A 105 2.745 7.931 -6.518 1.00 0.00 C ATOM 1227 CG LEU A 105 1.799 6.734 -6.421 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.356 6.289 -7.807 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.470 5.589 -5.676 1.00 0.00 C ATOM 0 H LEU A 105 4.097 9.787 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 105 1.475 8.994 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.575 7.665 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.165 8.122 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 105 0.913 7.036 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.683 5.436 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.838 7.109 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.229 6.003 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.785 4.744 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.372 5.287 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.735 5.915 -4.670 1.00 0.00 H new ATOM 1241 N CYS A 106 1.871 10.510 -4.978 1.00 0.00 N ATOM 1242 CA CYS A 106 1.145 11.168 -3.890 1.00 0.00 C ATOM 1243 C CYS A 106 0.284 12.310 -4.433 1.00 0.00 C ATOM 1244 O CYS A 106 -0.851 12.505 -3.995 1.00 0.00 O ATOM 1245 CB CYS A 106 2.122 11.702 -2.837 1.00 0.00 C ATOM 1246 SG CYS A 106 3.073 10.416 -1.992 1.00 0.00 S ATOM 0 H CYS A 106 2.885 10.601 -4.922 1.00 0.00 H new ATOM 0 HA CYS A 106 0.493 10.431 -3.421 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.814 12.394 -3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.563 12.273 -2.095 1.00 0.00 H new ATOM 0 HG CYS A 106 3.984 9.952 -2.795 1.00 0.00 H new ATOM 1252 N ALA A 107 0.837 13.059 -5.392 1.00 0.00 N ATOM 1253 CA ALA A 107 0.125 14.176 -6.014 1.00 0.00 C ATOM 1254 C ALA A 107 -1.104 13.690 -6.790 1.00 0.00 C ATOM 1255 O ALA A 107 -2.109 14.396 -6.874 1.00 0.00 O ATOM 1256 CB ALA A 107 1.058 14.951 -6.935 1.00 0.00 C ATOM 0 H ALA A 107 1.779 12.910 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.219 14.838 -5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.515 15.779 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.897 15.341 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.431 14.289 -7.716 1.00 0.00 H new ATOM 1262 N LEU A 108 -1.010 12.481 -7.352 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.108 11.891 -8.120 1.00 0.00 C ATOM 1264 C LEU A 108 -3.363 11.699 -7.266 1.00 0.00 C ATOM 1265 O LEU A 108 -4.482 11.873 -7.752 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.678 10.542 -8.707 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.720 10.621 -9.898 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.273 9.229 -10.313 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.378 11.342 -11.067 1.00 0.00 C ATOM 0 H LEU A 108 -0.181 11.891 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.350 12.585 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.204 9.956 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.571 9.998 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 108 0.159 11.190 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.408 9.303 -11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.237 8.747 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.143 8.637 -10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.682 11.388 -11.904 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.274 10.801 -11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.649 12.353 -10.764 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.170 11.350 -5.992 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.296 11.128 -5.101 1.00 0.00 C ATOM 1283 C GLY A 109 -4.930 9.761 -5.291 1.00 0.00 C ATOM 1284 O GLY A 109 -4.530 9.000 -6.175 1.00 0.00 O ATOM 0 H GLY A 109 -2.254 11.218 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.963 11.230 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.047 11.900 -5.271 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.921 9.449 -4.457 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.621 8.165 -4.529 1.00 0.00 C ATOM 1290 C LYS A 110 -7.326 7.988 -5.872 1.00 0.00 C ATOM 1291 O LYS A 110 -7.226 6.930 -6.491 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.638 8.045 -3.392 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.383 6.719 -3.385 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.371 6.639 -2.233 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.550 7.580 -2.434 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.349 7.230 -3.642 1.00 0.00 N ATOM 0 H LYS A 110 -6.259 10.069 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.874 7.378 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.123 8.169 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.359 8.858 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.913 6.594 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.668 5.900 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.735 5.616 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.863 6.886 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.192 7.548 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.185 8.603 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.279 7.692 -3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.850 7.555 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.476 6.199 -3.687 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.047 9.023 -6.311 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.771 8.986 -7.582 1.00 0.00 C ATOM 1312 C GLU A 111 -7.870 8.520 -8.726 1.00 0.00 C ATOM 1313 O GLU A 111 -8.133 7.489 -9.347 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.350 10.370 -7.897 1.00 0.00 C ATOM 1315 CG GLU A 111 -9.944 10.491 -9.292 1.00 0.00 C ATOM 1316 CD GLU A 111 -11.103 9.537 -9.524 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -12.242 9.888 -9.153 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -10.870 8.442 -10.078 1.00 0.00 O ATOM 0 H GLU A 111 -8.144 9.901 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.585 8.268 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.121 10.605 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.563 11.116 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.285 11.514 -9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.166 10.297 -10.031 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.808 9.277 -8.997 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.878 8.937 -10.072 1.00 0.00 C ATOM 1327 C CYS A 112 -5.225 7.575 -9.836 1.00 0.00 C ATOM 1328 O CYS A 112 -5.042 6.799 -10.775 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.808 10.019 -10.214 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.440 11.607 -10.801 1.00 0.00 S ATOM 0 H CYS A 112 -6.571 10.128 -8.488 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.449 8.879 -10.999 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.325 10.167 -9.248 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.040 9.668 -10.904 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.399 12.475 -9.834 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.883 7.283 -8.577 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.257 6.010 -8.226 1.00 0.00 C ATOM 1338 C PHE A 113 -5.202 4.840 -8.516 1.00 0.00 C ATOM 1339 O PHE A 113 -4.781 3.815 -9.054 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.857 6.007 -6.749 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.987 4.844 -6.371 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.549 3.655 -5.936 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.609 4.940 -6.454 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.751 2.583 -5.591 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.805 3.872 -6.109 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.376 2.691 -5.677 1.00 0.00 C ATOM 0 H PHE A 113 -5.030 7.912 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.363 5.890 -8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.331 6.934 -6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.758 5.992 -6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.623 3.566 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.157 5.861 -6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.201 1.661 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.269 3.960 -6.177 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.749 1.854 -5.407 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.478 5.001 -8.150 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.486 3.968 -8.385 1.00 0.00 C ATOM 1358 C LEU A 114 -7.732 3.779 -9.883 1.00 0.00 C ATOM 1359 O LEU A 114 -8.162 2.711 -10.316 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.796 4.314 -7.665 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.988 3.641 -6.302 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.798 3.908 -5.390 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.278 4.118 -5.650 1.00 0.00 C ATOM 0 H LEU A 114 -6.835 5.838 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.108 3.029 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.843 5.394 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.630 4.038 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.057 2.565 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.959 3.419 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.892 3.514 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.690 4.982 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.399 3.630 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.237 5.198 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.124 3.868 -6.291 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.477 4.829 -10.669 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.627 4.755 -12.121 1.00 0.00 C ATOM 1377 C GLU A 115 -6.444 3.999 -12.742 1.00 0.00 C ATOM 1378 O GLU A 115 -6.546 3.472 -13.852 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.726 6.161 -12.722 1.00 0.00 C ATOM 1380 CG GLU A 115 -9.014 6.886 -12.365 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.018 8.332 -12.823 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -8.547 9.199 -12.059 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -9.494 8.597 -13.947 1.00 0.00 O ATOM 0 H GLU A 115 -7.167 5.737 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.546 4.214 -12.345 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.878 6.754 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.648 6.090 -13.807 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.857 6.364 -12.817 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.159 6.851 -11.285 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.325 3.950 -12.009 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.116 3.260 -12.463 1.00 0.00 C ATOM 1392 C LEU A 116 -4.150 1.772 -12.102 1.00 0.00 C ATOM 1393 O LEU A 116 -3.684 0.931 -12.874 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.879 3.906 -11.831 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.611 5.353 -12.246 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.543 5.973 -11.358 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.192 5.422 -13.708 1.00 0.00 C ATOM 0 H LEU A 116 -5.234 4.385 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.070 3.349 -13.548 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.985 3.870 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.006 3.305 -12.086 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.534 5.921 -12.125 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.365 7.003 -11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.879 5.959 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.619 5.402 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.006 6.460 -13.985 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.283 4.839 -13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.987 5.017 -14.334 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.704 1.456 -10.929 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.781 0.071 -10.462 1.00 0.00 C ATOM 1411 C ALA A 117 -6.228 -0.401 -10.320 1.00 0.00 C ATOM 1412 O ALA A 117 -7.128 0.401 -10.081 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.047 -0.078 -9.138 1.00 0.00 C ATOM 0 H ALA A 117 -5.105 2.139 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.302 -0.558 -11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.111 -1.113 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.000 0.196 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.503 0.575 -8.394 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.460 -1.722 -10.478 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.792 -2.333 -10.364 1.00 0.00 C ATOM 1421 C PRO A 118 -8.621 -1.811 -9.185 1.00 0.00 C ATOM 1422 O PRO A 118 -8.099 -1.202 -8.249 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.480 -3.811 -10.155 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.174 -4.037 -10.834 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.431 -2.723 -10.819 1.00 0.00 C ATOM 0 HA PRO A 118 -8.396 -2.107 -11.243 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.419 -4.054 -9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.260 -4.442 -10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.601 -4.809 -10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.326 -4.381 -11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.626 -2.731 -10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.977 -2.512 -11.787 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.923 -2.089 -9.249 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.882 -1.673 -8.223 1.00 0.00 C ATOM 1435 C ASP A 119 -10.581 -2.269 -6.843 1.00 0.00 C ATOM 1436 O ASP A 119 -11.047 -1.737 -5.833 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.298 -2.085 -8.643 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.759 -1.380 -9.905 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.306 -0.262 -9.794 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.573 -1.945 -11.004 1.00 0.00 O ATOM 0 H ASP A 119 -10.345 -2.611 -10.017 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.799 -0.590 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.327 -3.163 -8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.993 -1.863 -7.833 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.810 -3.361 -6.789 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.510 -3.986 -5.499 1.00 0.00 C ATOM 1447 C PHE A 120 -8.060 -3.761 -5.072 1.00 0.00 C ATOM 1448 O PHE A 120 -7.804 -3.294 -3.961 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.853 -5.479 -5.513 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.301 -5.760 -5.799 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.227 -5.816 -4.769 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.736 -5.968 -7.098 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.560 -6.073 -5.031 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -13.068 -6.224 -7.366 1.00 0.00 C ATOM 1455 CZ PHE A 120 -13.980 -6.277 -6.330 1.00 0.00 C ATOM 0 H PHE A 120 -9.393 -3.819 -7.600 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.142 -3.499 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.240 -5.977 -6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.591 -5.913 -4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.904 -5.657 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.026 -5.930 -7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.272 -6.114 -4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.395 -6.382 -8.383 1.00 0.00 H new ATOM 0 HZ PHE A 120 -15.021 -6.478 -6.536 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.113 -4.093 -5.954 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.689 -3.926 -5.649 1.00 0.00 C ATOM 1467 C VAL A 121 -5.340 -2.454 -5.405 1.00 0.00 C ATOM 1468 O VAL A 121 -4.515 -2.143 -4.545 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.785 -4.488 -6.772 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.212 -5.897 -7.161 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.787 -3.576 -7.985 1.00 0.00 C ATOM 0 H VAL A 121 -7.305 -4.477 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.501 -4.495 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.767 -4.534 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.561 -6.269 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.139 -6.552 -6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.242 -5.880 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.143 -3.997 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.803 -3.484 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.416 -2.591 -7.700 1.00 0.00 H new ATOM 1481 N GLY A 122 -5.975 -1.556 -6.169 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.729 -0.130 -6.016 1.00 0.00 C ATOM 1483 C GLY A 122 -6.035 0.370 -4.614 1.00 0.00 C ATOM 1484 O GLY A 122 -5.333 1.240 -4.097 1.00 0.00 O ATOM 0 H GLY A 122 -6.655 -1.795 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.687 0.082 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.338 0.419 -6.734 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.087 -0.180 -4.002 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.481 0.207 -2.647 1.00 0.00 C ATOM 1490 C ASP A 123 -6.398 -0.171 -1.636 1.00 0.00 C ATOM 1491 O ASP A 123 -6.019 0.639 -0.792 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.804 -0.464 -2.264 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.340 0.036 -0.935 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -8.990 -0.556 0.109 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.107 1.022 -0.938 1.00 0.00 O ATOM 0 H ASP A 123 -7.680 -0.894 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.611 1.289 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.542 -0.278 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.660 -1.543 -2.212 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.908 -1.408 -1.730 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.867 -1.899 -0.826 1.00 0.00 C ATOM 1502 C ILE A 124 -3.608 -1.044 -0.920 1.00 0.00 C ATOM 1503 O ILE A 124 -3.103 -0.553 0.091 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.487 -3.360 -1.141 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.718 -4.262 -1.069 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.407 -3.849 -0.184 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.423 -5.707 -1.399 1.00 0.00 C ATOM 0 H ILE A 124 -6.216 -2.089 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.278 -1.841 0.182 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.091 -3.402 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.143 -4.205 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.475 -3.887 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.151 -4.882 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.520 -3.223 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.776 -3.792 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.341 -6.291 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.026 -5.775 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.689 -6.099 -0.695 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.106 -0.884 -2.143 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.898 -0.100 -2.384 1.00 0.00 C ATOM 1521 C LEU A 125 -2.035 1.319 -1.832 1.00 0.00 C ATOM 1522 O LEU A 125 -1.217 1.740 -1.020 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.566 -0.068 -3.878 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.210 -1.423 -4.492 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.148 -1.323 -6.009 1.00 0.00 C ATOM 1526 CD2 LEU A 125 0.111 -1.931 -3.935 1.00 0.00 C ATOM 0 H LEU A 125 -3.519 -1.288 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.076 -0.584 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.420 0.344 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.731 0.615 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.991 -2.136 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.893 -2.297 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.118 -1.005 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.389 -0.595 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.348 -2.896 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.902 -1.219 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.031 -2.043 -2.854 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.072 2.049 -2.253 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.279 3.418 -1.770 1.00 0.00 C ATOM 1540 C TRP A 126 -3.511 3.442 -0.253 1.00 0.00 C ATOM 1541 O TRP A 126 -3.179 4.430 0.404 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.435 4.106 -2.518 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.220 5.061 -1.662 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.994 6.396 -1.503 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.343 4.743 -0.833 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.907 6.928 -0.625 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.747 5.932 -0.200 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -7.046 3.566 -0.566 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.821 5.978 0.685 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.113 3.612 0.310 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.491 4.809 0.927 1.00 0.00 C ATOM 0 H TRP A 126 -3.773 1.721 -2.918 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.369 3.981 -1.977 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.032 4.646 -3.375 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.109 3.344 -2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.211 6.954 -1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.952 7.905 -0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.760 2.637 -1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.114 6.901 1.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.665 2.708 0.522 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.329 4.811 1.608 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.071 2.366 0.302 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.301 2.295 1.745 1.00 0.00 C ATOM 1564 C GLU A 127 -2.967 2.393 2.489 1.00 0.00 C ATOM 1565 O GLU A 127 -2.772 3.285 3.317 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.023 0.997 2.113 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.464 0.935 3.567 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.210 -0.344 3.894 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.444 -0.378 3.702 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -5.560 -1.312 4.341 1.00 0.00 O ATOM 0 H GLU A 127 -4.370 1.541 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.934 3.132 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.897 0.883 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.364 0.154 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.589 1.017 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.103 1.791 3.786 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.047 1.475 2.175 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.720 1.466 2.792 1.00 0.00 C ATOM 1579 C HIS A 128 0.113 2.645 2.279 1.00 0.00 C ATOM 1580 O HIS A 128 0.944 3.191 3.006 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.004 0.143 2.495 1.00 0.00 C ATOM 1582 CG HIS A 128 1.319 -0.009 3.191 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.256 -0.953 2.823 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.861 0.667 4.235 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.313 -0.852 3.610 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.098 0.122 4.473 1.00 0.00 N ATOM 0 H HIS A 128 -2.199 0.729 1.496 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.838 1.565 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.653 -0.682 2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.152 0.060 1.419 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.404 1.482 4.777 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.202 -1.463 3.556 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.747 0.422 5.201 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.122 3.027 1.020 1.00 0.00 N ATOM 1596 CA LEU A 129 0.587 4.144 0.397 1.00 0.00 C ATOM 1597 C LEU A 129 0.391 5.423 1.205 1.00 0.00 C ATOM 1598 O LEU A 129 1.350 6.149 1.474 1.00 0.00 O ATOM 1599 CB LEU A 129 0.084 4.351 -1.036 1.00 0.00 C ATOM 1600 CG LEU A 129 0.815 5.426 -1.844 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.284 5.070 -2.009 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.148 5.607 -3.200 1.00 0.00 C ATOM 0 H LEU A 129 -0.803 2.574 0.410 1.00 0.00 H new ATOM 0 HA LEU A 129 1.651 3.907 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.163 3.404 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.975 4.608 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 129 0.757 6.369 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.784 5.848 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.751 4.989 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.371 4.117 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.677 6.374 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.178 4.666 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.889 5.911 -3.058 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.859 5.691 1.593 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.178 6.880 2.376 1.00 0.00 C ATOM 1616 C GLU A 130 -0.576 6.768 3.776 1.00 0.00 C ATOM 1617 O GLU A 130 -0.176 7.770 4.369 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.696 7.081 2.451 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.126 8.262 3.309 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.555 9.584 2.828 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -3.001 10.074 1.768 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -1.665 10.130 3.512 1.00 0.00 O ATOM 0 H GLU A 130 -1.662 5.100 1.377 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.744 7.750 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.083 7.219 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.153 6.174 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.214 8.323 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.812 8.090 4.338 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.519 5.537 4.299 1.00 0.00 N ATOM 1630 CA ILE A 131 0.059 5.289 5.617 1.00 0.00 C ATOM 1631 C ILE A 131 1.529 5.705 5.631 1.00 0.00 C ATOM 1632 O ILE A 131 1.996 6.330 6.585 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.069 3.799 6.019 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.534 3.445 6.286 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.790 3.487 7.235 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.775 1.962 6.476 1.00 0.00 C ATOM 0 H ILE A 131 -0.866 4.702 3.828 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.495 5.885 6.343 1.00 0.00 H new ATOM 0 HB ILE A 131 0.290 3.189 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.871 3.976 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.142 3.800 5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.682 2.434 7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.835 3.699 7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.470 4.104 8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.835 1.786 6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.470 1.426 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.194 1.605 7.327 1.00 0.00 H new ATOM 1648 N LEU A 132 2.247 5.353 4.561 1.00 0.00 N ATOM 1649 CA LEU A 132 3.657 5.710 4.425 1.00 0.00 C ATOM 1650 C LEU A 132 3.831 7.228 4.489 1.00 0.00 C ATOM 1651 O LEU A 132 4.825 7.726 5.023 1.00 0.00 O ATOM 1652 CB LEU A 132 4.216 5.178 3.100 1.00 0.00 C ATOM 1653 CG LEU A 132 4.237 3.652 2.960 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.549 3.255 1.525 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.252 3.038 3.914 1.00 0.00 C ATOM 0 H LEU A 132 1.872 4.820 3.776 1.00 0.00 H new ATOM 0 HA LEU A 132 4.207 5.256 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.625 5.593 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.233 5.551 2.979 1.00 0.00 H new ATOM 0 HG LEU A 132 3.249 3.271 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.560 2.168 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.786 3.662 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.525 3.650 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.251 1.954 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.245 3.426 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.988 3.294 4.940 1.00 0.00 H new ATOM 1667 N GLN A 133 2.854 7.958 3.937 1.00 0.00 N ATOM 1668 CA GLN A 133 2.882 9.418 3.934 1.00 0.00 C ATOM 1669 C GLN A 133 2.699 9.958 5.351 1.00 0.00 C ATOM 1670 O GLN A 133 3.646 10.461 5.955 1.00 0.00 O ATOM 1671 CB GLN A 133 1.788 9.976 3.014 1.00 0.00 C ATOM 1672 CG GLN A 133 1.830 9.421 1.598 1.00 0.00 C ATOM 1673 CD GLN A 133 0.605 9.795 0.782 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.011 10.856 0.978 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.217 8.918 -0.138 1.00 0.00 N ATOM 0 H GLN A 133 2.033 7.555 3.486 1.00 0.00 H new ATOM 0 HA GLN A 133 3.853 9.740 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.814 9.757 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.882 11.061 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.723 9.791 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.915 8.335 1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.738 8.051 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.602 9.112 -0.714 1.00 0.00 H new