USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=11 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 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 GLN : amide:sc= -2.18 K(o=-2.2,f=-3.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.773 K(o=-0.77,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc=-0.00682 (180deg=-0.0109) USER MOD Single : A 71 GLN : amide:sc= -2.01! K(o=-2!,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0609 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -2.08! X(o=-2.1!,f=-2.3) USER MOD Single : A 82 MET CE :methyl 174:sc= -1.84! (180deg=-1.97) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.081) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -30:sc= 0.405 USER MOD Single : A 100 MET CE :methyl -126:sc= -0.0655 (180deg=-0.496) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 77:sc= -0.464 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 120:sc= -0.0379 USER MOD Single : A 128 HIS : no HD1:sc= -0.911 K(o=-0.91,f=0.13) USER MOD Single : A 133 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.455 -7.207 6.931 1.00 0.00 N ATOM 414 CA GLY A 55 7.146 -7.732 5.764 1.00 0.00 C ATOM 415 C GLY A 55 7.591 -6.643 4.794 1.00 0.00 C ATOM 416 O GLY A 55 8.208 -6.940 3.770 1.00 0.00 O ATOM 0 HA2 GLY A 55 8.018 -8.299 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.489 -8.429 5.243 1.00 0.00 H new ATOM 420 N PHE A 56 7.285 -5.380 5.118 1.00 0.00 N ATOM 421 CA PHE A 56 7.662 -4.257 4.265 1.00 0.00 C ATOM 422 C PHE A 56 9.064 -3.774 4.612 1.00 0.00 C ATOM 423 O PHE A 56 9.930 -3.708 3.743 1.00 0.00 O ATOM 424 CB PHE A 56 6.659 -3.105 4.392 1.00 0.00 C ATOM 425 CG PHE A 56 6.888 -1.994 3.400 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.295 -2.275 2.103 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.694 -0.670 3.763 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.505 -1.259 1.192 1.00 0.00 C ATOM 429 CE2 PHE A 56 6.902 0.350 2.853 1.00 0.00 C ATOM 430 CZ PHE A 56 7.308 0.054 1.566 1.00 0.00 C ATOM 0 H PHE A 56 6.779 -5.116 5.963 1.00 0.00 H new ATOM 0 HA PHE A 56 7.653 -4.603 3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.650 -3.496 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.713 -2.697 5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.449 -3.301 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.377 -0.433 4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.823 -1.492 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.747 1.377 3.148 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.471 0.849 0.854 1.00 0.00 H new ATOM 440 N THR A 57 9.279 -3.441 5.888 1.00 0.00 N ATOM 441 CA THR A 57 10.585 -2.974 6.358 1.00 0.00 C ATOM 442 C THR A 57 11.693 -3.962 5.986 1.00 0.00 C ATOM 443 O THR A 57 12.825 -3.558 5.716 1.00 0.00 O ATOM 444 CB THR A 57 10.587 -2.748 7.884 1.00 0.00 C ATOM 445 OG1 THR A 57 9.588 -1.785 8.239 1.00 0.00 O ATOM 446 CG2 THR A 57 11.949 -2.269 8.368 1.00 0.00 C ATOM 0 H THR A 57 8.564 -3.486 6.614 1.00 0.00 H new ATOM 0 HA THR A 57 10.779 -2.022 5.863 1.00 0.00 H new ATOM 0 HB THR A 57 10.365 -3.701 8.364 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.595 -1.649 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.919 -2.118 9.447 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.705 -3.017 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.199 -1.329 7.877 1.00 0.00 H new ATOM 454 N LYS A 58 11.361 -5.255 5.971 1.00 0.00 N ATOM 455 CA LYS A 58 12.324 -6.294 5.608 1.00 0.00 C ATOM 456 C LYS A 58 12.764 -6.128 4.155 1.00 0.00 C ATOM 457 O LYS A 58 13.898 -6.452 3.796 1.00 0.00 O ATOM 458 CB LYS A 58 11.712 -7.681 5.812 1.00 0.00 C ATOM 459 CG LYS A 58 11.304 -7.962 7.249 1.00 0.00 C ATOM 460 CD LYS A 58 10.440 -9.210 7.350 1.00 0.00 C ATOM 461 CE LYS A 58 9.963 -9.444 8.774 1.00 0.00 C ATOM 462 NZ LYS A 58 8.986 -10.566 8.859 1.00 0.00 N ATOM 0 H LYS A 58 10.433 -5.606 6.206 1.00 0.00 H new ATOM 0 HA LYS A 58 13.197 -6.195 6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.838 -7.781 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.430 -8.436 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.196 -8.085 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.758 -7.107 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.579 -9.112 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.008 -10.075 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.820 -9.660 9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.503 -8.533 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.687 -10.692 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.156 -10.349 8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.432 -11.442 8.519 1.00 0.00 H new ATOM 476 N GLU A 59 11.850 -5.625 3.325 1.00 0.00 N ATOM 477 CA GLU A 59 12.127 -5.389 1.916 1.00 0.00 C ATOM 478 C GLU A 59 12.764 -4.013 1.724 1.00 0.00 C ATOM 479 O GLU A 59 13.677 -3.852 0.914 1.00 0.00 O ATOM 480 CB GLU A 59 10.834 -5.483 1.104 1.00 0.00 C ATOM 481 CG GLU A 59 11.050 -5.431 -0.400 1.00 0.00 C ATOM 482 CD GLU A 59 11.765 -6.659 -0.931 1.00 0.00 C ATOM 483 OE1 GLU A 59 13.014 -6.663 -0.939 1.00 0.00 O ATOM 484 OE2 GLU A 59 11.076 -7.618 -1.339 1.00 0.00 O ATOM 0 H GLU A 59 10.904 -5.373 3.612 1.00 0.00 H new ATOM 0 HA GLU A 59 12.823 -6.151 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.324 -6.413 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.173 -4.667 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.086 -5.333 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.629 -4.542 -0.649 1.00 0.00 H new ATOM 491 N GLN A 60 12.265 -3.023 2.473 1.00 0.00 N ATOM 492 CA GLN A 60 12.782 -1.655 2.406 1.00 0.00 C ATOM 493 C GLN A 60 14.281 -1.614 2.692 1.00 0.00 C ATOM 494 O GLN A 60 14.994 -0.762 2.165 1.00 0.00 O ATOM 495 CB GLN A 60 12.044 -0.757 3.400 1.00 0.00 C ATOM 496 CG GLN A 60 10.546 -0.696 3.167 1.00 0.00 C ATOM 497 CD GLN A 60 9.861 0.333 4.044 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.439 0.031 5.161 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.744 1.558 3.542 1.00 0.00 N ATOM 0 H GLN A 60 11.499 -3.147 3.136 1.00 0.00 H new ATOM 0 HA GLN A 60 12.614 -1.288 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.232 -1.118 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.454 0.251 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.354 -0.461 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.112 -1.677 3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.108 1.765 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.290 2.291 4.087 1.00 0.00 H new ATOM 508 N GLN A 61 14.750 -2.530 3.537 1.00 0.00 N ATOM 509 CA GLN A 61 16.171 -2.604 3.874 1.00 0.00 C ATOM 510 C GLN A 61 16.940 -3.388 2.809 1.00 0.00 C ATOM 511 O GLN A 61 18.099 -3.084 2.519 1.00 0.00 O ATOM 512 CB GLN A 61 16.367 -3.245 5.250 1.00 0.00 C ATOM 513 CG GLN A 61 15.896 -4.689 5.333 1.00 0.00 C ATOM 514 CD GLN A 61 16.002 -5.256 6.736 1.00 0.00 C ATOM 515 OE1 GLN A 61 17.026 -5.826 7.112 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.940 -5.102 7.521 1.00 0.00 N ATOM 0 H GLN A 61 14.169 -3.229 4.000 1.00 0.00 H new ATOM 0 HA GLN A 61 16.564 -1.588 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.424 -3.203 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.831 -2.655 5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.861 -4.750 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.488 -5.300 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.111 -4.623 7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.954 -5.463 8.475 1.00 0.00 H new ATOM 525 N ARG A 62 16.283 -4.392 2.230 1.00 0.00 N ATOM 526 CA ARG A 62 16.886 -5.223 1.191 1.00 0.00 C ATOM 527 C ARG A 62 17.082 -4.437 -0.110 1.00 0.00 C ATOM 528 O ARG A 62 18.084 -4.616 -0.804 1.00 0.00 O ATOM 529 CB ARG A 62 16.001 -6.444 0.929 1.00 0.00 C ATOM 530 CG ARG A 62 16.677 -7.536 0.116 1.00 0.00 C ATOM 531 CD ARG A 62 15.719 -8.680 -0.180 1.00 0.00 C ATOM 532 NE ARG A 62 15.122 -9.227 1.041 1.00 0.00 N ATOM 533 CZ ARG A 62 13.876 -9.706 1.121 1.00 0.00 C ATOM 534 NH1 ARG A 62 13.086 -9.729 0.050 1.00 0.00 N ATOM 535 NH2 ARG A 62 13.419 -10.168 2.280 1.00 0.00 N ATOM 0 H ARG A 62 15.325 -4.650 2.466 1.00 0.00 H new ATOM 0 HA ARG A 62 17.866 -5.546 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.683 -6.861 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.100 -6.121 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.048 -7.118 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.542 -7.915 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.929 -8.329 -0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.251 -9.471 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 62 15.694 -9.244 1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.429 -9.379 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.138 -10.097 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.018 -10.157 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.469 -10.534 2.344 1.00 0.00 H new ATOM 549 N LEU A 63 16.121 -3.566 -0.431 1.00 0.00 N ATOM 550 CA LEU A 63 16.170 -2.759 -1.652 1.00 0.00 C ATOM 551 C LEU A 63 16.695 -1.346 -1.384 1.00 0.00 C ATOM 552 O LEU A 63 17.389 -0.770 -2.224 1.00 0.00 O ATOM 553 CB LEU A 63 14.770 -2.660 -2.270 1.00 0.00 C ATOM 554 CG LEU A 63 14.041 -3.991 -2.469 1.00 0.00 C ATOM 555 CD1 LEU A 63 12.613 -3.753 -2.936 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.787 -4.868 -3.462 1.00 0.00 C ATOM 0 H LEU A 63 15.294 -3.402 0.143 1.00 0.00 H new ATOM 0 HA LEU A 63 16.855 -3.254 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.156 -2.021 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 14.853 -2.163 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 63 14.008 -4.510 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.110 -4.711 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.079 -3.166 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.625 -3.212 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.252 -5.809 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.853 -4.356 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.791 -5.069 -3.088 1.00 0.00 H new ATOM 568 N GLY A 64 16.363 -0.795 -0.215 1.00 0.00 N ATOM 569 CA GLY A 64 16.788 0.556 0.127 1.00 0.00 C ATOM 570 C GLY A 64 15.632 1.552 0.131 1.00 0.00 C ATOM 571 O GLY A 64 15.831 2.736 0.411 1.00 0.00 O ATOM 0 H GLY A 64 15.807 -1.261 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.258 0.547 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.544 0.886 -0.585 1.00 0.00 H new ATOM 575 N ILE A 65 14.422 1.068 -0.185 1.00 0.00 N ATOM 576 CA ILE A 65 13.226 1.911 -0.216 1.00 0.00 C ATOM 577 C ILE A 65 13.017 2.619 1.124 1.00 0.00 C ATOM 578 O ILE A 65 12.944 1.971 2.168 1.00 0.00 O ATOM 579 CB ILE A 65 11.962 1.083 -0.548 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.138 0.333 -1.873 1.00 0.00 C ATOM 581 CG2 ILE A 65 10.738 1.987 -0.609 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.086 -0.729 -2.115 1.00 0.00 C ATOM 0 H ILE A 65 14.249 0.091 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 65 13.382 2.654 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 65 11.815 0.349 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.112 1.051 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.123 -0.134 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.856 1.390 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.599 2.477 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.881 2.742 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.275 -1.217 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.125 -1.469 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.099 -0.266 -2.133 1.00 0.00 H new ATOM 594 N PRO A 66 12.923 3.964 1.112 1.00 0.00 N ATOM 595 CA PRO A 66 12.721 4.753 2.334 1.00 0.00 C ATOM 596 C PRO A 66 11.297 4.631 2.880 1.00 0.00 C ATOM 597 O PRO A 66 10.399 4.133 2.199 1.00 0.00 O ATOM 598 CB PRO A 66 13.007 6.184 1.879 1.00 0.00 C ATOM 599 CG PRO A 66 12.677 6.193 0.428 1.00 0.00 C ATOM 600 CD PRO A 66 13.011 4.819 -0.089 1.00 0.00 C ATOM 0 HA PRO A 66 13.361 4.416 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.399 6.903 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.049 6.453 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.623 6.422 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.251 6.956 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.310 4.500 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.007 4.788 -0.531 1.00 0.00 H new ATOM 608 N LYS A 67 11.102 5.094 4.115 1.00 0.00 N ATOM 609 CA LYS A 67 9.795 5.031 4.768 1.00 0.00 C ATOM 610 C LYS A 67 8.845 6.106 4.232 1.00 0.00 C ATOM 611 O LYS A 67 7.630 5.901 4.191 1.00 0.00 O ATOM 612 CB LYS A 67 9.956 5.179 6.285 1.00 0.00 C ATOM 613 CG LYS A 67 8.827 4.552 7.089 1.00 0.00 C ATOM 614 CD LYS A 67 8.858 3.032 7.008 1.00 0.00 C ATOM 615 CE LYS A 67 7.847 2.397 7.953 1.00 0.00 C ATOM 616 NZ LYS A 67 6.443 2.743 7.592 1.00 0.00 N ATOM 0 H LYS A 67 11.835 5.518 4.684 1.00 0.00 H new ATOM 0 HA LYS A 67 9.357 4.058 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.900 4.724 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.020 6.239 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.905 4.863 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.869 4.917 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.648 2.718 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.859 2.675 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.968 1.314 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.049 2.725 8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.788 2.248 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.305 3.770 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.255 2.453 6.611 1.00 0.00 H new ATOM 630 N ASP A 68 9.400 7.250 3.821 1.00 0.00 N ATOM 631 CA ASP A 68 8.597 8.350 3.289 1.00 0.00 C ATOM 632 C ASP A 68 8.306 8.145 1.799 1.00 0.00 C ATOM 633 O ASP A 68 9.224 7.948 1.001 1.00 0.00 O ATOM 634 CB ASP A 68 9.318 9.682 3.515 1.00 0.00 C ATOM 635 CG ASP A 68 8.582 10.863 2.909 1.00 0.00 C ATOM 636 OD1 ASP A 68 7.486 11.199 3.403 1.00 0.00 O ATOM 637 OD2 ASP A 68 9.105 11.453 1.942 1.00 0.00 O ATOM 0 H ASP A 68 10.402 7.437 3.847 1.00 0.00 H new ATOM 0 HA ASP A 68 7.644 8.369 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.439 9.847 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.318 9.625 3.086 1.00 0.00 H new ATOM 642 N PRO A 69 7.014 8.195 1.411 1.00 0.00 N ATOM 643 CA PRO A 69 6.581 8.006 0.016 1.00 0.00 C ATOM 644 C PRO A 69 6.912 9.187 -0.901 1.00 0.00 C ATOM 645 O PRO A 69 7.030 9.009 -2.113 1.00 0.00 O ATOM 646 CB PRO A 69 5.067 7.837 0.139 1.00 0.00 C ATOM 647 CG PRO A 69 4.702 8.586 1.372 1.00 0.00 C ATOM 648 CD PRO A 69 5.867 8.437 2.311 1.00 0.00 C ATOM 0 HA PRO A 69 7.095 7.162 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.552 8.237 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.791 6.785 0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.513 9.636 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.790 8.186 1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.013 9.334 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.720 7.608 3.004 1.00 0.00 H new ATOM 656 N ARG A 70 7.054 10.389 -0.336 1.00 0.00 N ATOM 657 CA ARG A 70 7.378 11.570 -1.142 1.00 0.00 C ATOM 658 C ARG A 70 8.806 11.489 -1.683 1.00 0.00 C ATOM 659 O ARG A 70 9.090 11.991 -2.771 1.00 0.00 O ATOM 660 CB ARG A 70 7.194 12.860 -0.336 1.00 0.00 C ATOM 661 CG ARG A 70 5.740 13.213 -0.056 1.00 0.00 C ATOM 662 CD ARG A 70 5.176 12.408 1.105 1.00 0.00 C ATOM 663 NE ARG A 70 3.820 12.829 1.453 1.00 0.00 N ATOM 664 CZ ARG A 70 3.315 12.782 2.689 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.042 12.315 3.699 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.074 13.200 2.913 1.00 0.00 N ATOM 0 H ARG A 70 6.952 10.570 0.663 1.00 0.00 H new ATOM 0 HA ARG A 70 6.686 11.589 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.723 12.762 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.660 13.684 -0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.661 14.277 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.143 13.030 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.172 11.350 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.825 12.520 1.974 1.00 0.00 H new ATOM 0 HE ARG A 70 3.222 13.181 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.994 11.989 3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.648 12.283 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.509 13.556 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.686 13.165 3.856 1.00 0.00 H new ATOM 680 N GLN A 71 9.700 10.852 -0.922 1.00 0.00 N ATOM 681 CA GLN A 71 11.093 10.692 -1.341 1.00 0.00 C ATOM 682 C GLN A 71 11.304 9.351 -2.054 1.00 0.00 C ATOM 683 O GLN A 71 12.349 8.713 -1.906 1.00 0.00 O ATOM 684 CB GLN A 71 12.038 10.815 -0.137 1.00 0.00 C ATOM 685 CG GLN A 71 11.798 9.776 0.949 1.00 0.00 C ATOM 686 CD GLN A 71 12.703 9.973 2.151 1.00 0.00 C ATOM 687 OE1 GLN A 71 13.783 9.388 2.232 1.00 0.00 O ATOM 688 NE2 GLN A 71 12.268 10.807 3.091 1.00 0.00 N ATOM 0 H GLN A 71 9.484 10.440 -0.014 1.00 0.00 H new ATOM 0 HA GLN A 71 11.325 11.490 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.067 10.729 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.930 11.809 0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.757 9.824 1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.959 8.780 0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.366 11.271 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.836 10.983 3.920 1.00 0.00 H new ATOM 697 N TRP A 72 10.303 8.935 -2.833 1.00 0.00 N ATOM 698 CA TRP A 72 10.371 7.685 -3.584 1.00 0.00 C ATOM 699 C TRP A 72 10.641 7.963 -5.059 1.00 0.00 C ATOM 700 O TRP A 72 10.521 9.104 -5.512 1.00 0.00 O ATOM 701 CB TRP A 72 9.051 6.919 -3.458 1.00 0.00 C ATOM 702 CG TRP A 72 9.005 5.961 -2.312 1.00 0.00 C ATOM 703 CD1 TRP A 72 9.757 5.999 -1.176 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.153 4.819 -2.193 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.428 4.947 -0.358 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.444 4.209 -0.960 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.170 4.253 -3.011 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.789 3.061 -0.526 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.521 3.114 -2.578 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.833 2.529 -1.345 1.00 0.00 C ATOM 0 H TRP A 72 9.432 9.451 -2.959 1.00 0.00 H new ATOM 0 HA TRP A 72 11.184 7.087 -3.172 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.237 7.636 -3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.873 6.370 -4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.503 6.747 -0.952 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.848 4.748 0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.923 4.698 -3.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.027 2.606 0.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.760 2.667 -3.201 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.307 1.638 -1.034 1.00 0.00 H new ATOM 721 N THR A 73 11.007 6.925 -5.806 1.00 0.00 N ATOM 722 CA THR A 73 11.243 7.071 -7.238 1.00 0.00 C ATOM 723 C THR A 73 10.560 5.933 -7.999 1.00 0.00 C ATOM 724 O THR A 73 9.941 5.062 -7.385 1.00 0.00 O ATOM 725 CB THR A 73 12.752 7.112 -7.569 1.00 0.00 C ATOM 726 OG1 THR A 73 12.949 7.388 -8.962 1.00 0.00 O ATOM 727 CG2 THR A 73 13.426 5.795 -7.207 1.00 0.00 C ATOM 0 H THR A 73 11.146 5.981 -5.446 1.00 0.00 H new ATOM 0 HA THR A 73 10.814 8.023 -7.552 1.00 0.00 H new ATOM 0 HB THR A 73 13.204 7.908 -6.977 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.909 7.413 -9.158 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.487 5.850 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.307 5.607 -6.140 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.966 4.984 -7.772 1.00 0.00 H new ATOM 735 N GLU A 74 10.670 5.935 -9.328 1.00 0.00 N ATOM 736 CA GLU A 74 10.043 4.898 -10.153 1.00 0.00 C ATOM 737 C GLU A 74 10.377 3.496 -9.642 1.00 0.00 C ATOM 738 O GLU A 74 9.508 2.622 -9.603 1.00 0.00 O ATOM 739 CB GLU A 74 10.478 5.040 -11.615 1.00 0.00 C ATOM 740 CG GLU A 74 10.104 6.379 -12.232 1.00 0.00 C ATOM 741 CD GLU A 74 10.495 6.484 -13.694 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.683 6.749 -13.973 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.612 6.303 -14.559 1.00 0.00 O ATOM 0 H GLU A 74 11.185 6.640 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 74 8.964 5.034 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.558 4.909 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.024 4.240 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.029 6.530 -12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.589 7.179 -11.673 1.00 0.00 H new ATOM 750 N THR A 75 11.635 3.287 -9.250 1.00 0.00 N ATOM 751 CA THR A 75 12.075 1.991 -8.740 1.00 0.00 C ATOM 752 C THR A 75 11.342 1.625 -7.448 1.00 0.00 C ATOM 753 O THR A 75 10.743 0.558 -7.354 1.00 0.00 O ATOM 754 CB THR A 75 13.596 1.970 -8.481 1.00 0.00 C ATOM 755 OG1 THR A 75 14.300 2.446 -9.636 1.00 0.00 O ATOM 756 CG2 THR A 75 14.071 0.564 -8.142 1.00 0.00 C ATOM 0 H THR A 75 12.365 3.999 -9.277 1.00 0.00 H new ATOM 0 HA THR A 75 11.837 1.256 -9.509 1.00 0.00 H new ATOM 0 HB THR A 75 13.802 2.623 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.264 2.430 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.146 0.576 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.559 0.213 -7.246 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.848 -0.105 -8.973 1.00 0.00 H new ATOM 764 N HIS A 76 11.392 2.524 -6.459 1.00 0.00 N ATOM 765 CA HIS A 76 10.732 2.291 -5.169 1.00 0.00 C ATOM 766 C HIS A 76 9.230 2.064 -5.345 1.00 0.00 C ATOM 767 O HIS A 76 8.640 1.220 -4.671 1.00 0.00 O ATOM 768 CB HIS A 76 10.972 3.464 -4.212 1.00 0.00 C ATOM 769 CG HIS A 76 12.415 3.676 -3.861 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.945 4.914 -3.568 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.439 2.796 -3.750 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.231 4.787 -3.293 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.556 3.512 -3.395 1.00 0.00 N ATOM 0 H HIS A 76 11.881 3.417 -6.526 1.00 0.00 H new ATOM 0 HA HIS A 76 11.169 1.390 -4.739 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.580 4.375 -4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.406 3.294 -3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.387 1.729 -3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.903 5.591 -3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.485 3.122 -3.236 1.00 0.00 H new ATOM 782 N VAL A 77 8.622 2.827 -6.254 1.00 0.00 N ATOM 783 CA VAL A 77 7.193 2.713 -6.539 1.00 0.00 C ATOM 784 C VAL A 77 6.847 1.325 -7.079 1.00 0.00 C ATOM 785 O VAL A 77 5.957 0.650 -6.563 1.00 0.00 O ATOM 786 CB VAL A 77 6.750 3.780 -7.566 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.329 3.514 -8.050 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.856 5.171 -6.956 1.00 0.00 C ATOM 0 H VAL A 77 9.102 3.536 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 77 6.663 2.872 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 77 7.414 3.724 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.041 4.279 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.283 2.533 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.645 3.540 -7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.541 5.914 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.214 5.233 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.889 5.363 -6.665 1.00 0.00 H new ATOM 798 N ARG A 78 7.575 0.908 -8.117 1.00 0.00 N ATOM 799 CA ARG A 78 7.360 -0.387 -8.755 1.00 0.00 C ATOM 800 C ARG A 78 7.776 -1.532 -7.837 1.00 0.00 C ATOM 801 O ARG A 78 7.034 -2.503 -7.679 1.00 0.00 O ATOM 802 CB ARG A 78 8.134 -0.452 -10.072 1.00 0.00 C ATOM 803 CG ARG A 78 8.075 -1.804 -10.762 1.00 0.00 C ATOM 804 CD ARG A 78 8.826 -1.781 -12.083 1.00 0.00 C ATOM 805 NE ARG A 78 8.043 -1.155 -13.150 1.00 0.00 N ATOM 806 CZ ARG A 78 8.132 0.134 -13.498 1.00 0.00 C ATOM 807 NH1 ARG A 78 8.974 0.954 -12.871 1.00 0.00 N ATOM 808 NH2 ARG A 78 7.374 0.605 -14.484 1.00 0.00 N ATOM 0 H ARG A 78 8.326 1.457 -8.535 1.00 0.00 H new ATOM 0 HA ARG A 78 6.295 -0.495 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.741 0.307 -10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.177 -0.199 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.503 -2.566 -10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.035 -2.081 -10.937 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.764 -1.240 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.082 -2.800 -12.372 1.00 0.00 H new ATOM 0 HE ARG A 78 7.385 -1.741 -13.663 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.561 0.602 -12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.031 1.934 -13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.728 -0.016 -14.972 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.439 1.587 -14.753 1.00 0.00 H new ATOM 822 N ASP A 79 8.963 -1.421 -7.239 1.00 0.00 N ATOM 823 CA ASP A 79 9.455 -2.456 -6.333 1.00 0.00 C ATOM 824 C ASP A 79 8.471 -2.685 -5.185 1.00 0.00 C ATOM 825 O ASP A 79 8.306 -3.813 -4.718 1.00 0.00 O ATOM 826 CB ASP A 79 10.839 -2.091 -5.790 1.00 0.00 C ATOM 827 CG ASP A 79 11.959 -2.536 -6.711 1.00 0.00 C ATOM 828 OD1 ASP A 79 12.133 -1.915 -7.781 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.664 -3.507 -6.362 1.00 0.00 O ATOM 0 H ASP A 79 9.596 -0.631 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 79 9.544 -3.384 -6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.897 -1.012 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.974 -2.550 -4.810 1.00 0.00 H new ATOM 834 N TRP A 80 7.818 -1.606 -4.738 1.00 0.00 N ATOM 835 CA TRP A 80 6.837 -1.712 -3.662 1.00 0.00 C ATOM 836 C TRP A 80 5.579 -2.396 -4.192 1.00 0.00 C ATOM 837 O TRP A 80 5.190 -3.450 -3.695 1.00 0.00 O ATOM 838 CB TRP A 80 6.504 -0.339 -3.065 1.00 0.00 C ATOM 839 CG TRP A 80 5.231 -0.329 -2.269 1.00 0.00 C ATOM 840 CD1 TRP A 80 5.024 -0.897 -1.046 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.988 0.269 -2.650 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.728 -0.688 -0.642 1.00 0.00 N ATOM 843 CE2 TRP A 80 3.072 0.026 -1.610 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.560 0.989 -3.770 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.755 0.475 -1.658 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.253 1.434 -3.815 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.365 1.176 -2.765 1.00 0.00 C ATOM 0 H TRP A 80 7.951 -0.662 -5.102 1.00 0.00 H new ATOM 0 HA TRP A 80 7.264 -2.313 -2.859 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.327 -0.020 -2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.426 0.390 -3.871 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.770 -1.433 -0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.321 -1.011 0.235 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.239 1.193 -4.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.066 0.277 -0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.911 1.990 -4.675 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.350 1.538 -2.830 1.00 0.00 H new ATOM 858 N VAL A 81 4.934 -1.766 -5.182 1.00 0.00 N ATOM 859 CA VAL A 81 3.738 -2.329 -5.819 1.00 0.00 C ATOM 860 C VAL A 81 3.885 -3.838 -6.018 1.00 0.00 C ATOM 861 O VAL A 81 3.022 -4.611 -5.602 1.00 0.00 O ATOM 862 CB VAL A 81 3.463 -1.655 -7.185 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.408 -2.417 -7.977 1.00 0.00 C ATOM 864 CG2 VAL A 81 3.037 -0.209 -6.990 1.00 0.00 C ATOM 0 H VAL A 81 5.222 -0.863 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 81 2.896 -2.136 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 81 4.390 -1.673 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.238 -1.918 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.753 -3.435 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.477 -2.444 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.848 0.249 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.128 -0.175 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.829 0.338 -6.479 1.00 0.00 H new ATOM 874 N MET A 82 4.989 -4.246 -6.647 1.00 0.00 N ATOM 875 CA MET A 82 5.265 -5.661 -6.892 1.00 0.00 C ATOM 876 C MET A 82 5.276 -6.442 -5.577 1.00 0.00 C ATOM 877 O MET A 82 4.656 -7.501 -5.467 1.00 0.00 O ATOM 878 CB MET A 82 6.608 -5.817 -7.608 1.00 0.00 C ATOM 879 CG MET A 82 6.847 -7.209 -8.171 1.00 0.00 C ATOM 880 SD MET A 82 8.310 -7.289 -9.222 1.00 0.00 S ATOM 881 CE MET A 82 7.872 -6.114 -10.502 1.00 0.00 C ATOM 0 H MET A 82 5.708 -3.613 -6.997 1.00 0.00 H new ATOM 0 HA MET A 82 4.475 -6.064 -7.526 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.662 -5.093 -8.421 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.411 -5.575 -6.911 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.956 -7.916 -7.349 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.974 -7.520 -8.745 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.721 -5.972 -11.171 1.00 0.00 H new ATOM 0 HE2 MET A 82 7.022 -6.494 -11.069 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.606 -5.161 -10.045 1.00 0.00 H new ATOM 891 N TRP A 83 5.991 -5.906 -4.586 1.00 0.00 N ATOM 892 CA TRP A 83 6.079 -6.527 -3.266 1.00 0.00 C ATOM 893 C TRP A 83 4.690 -6.647 -2.626 1.00 0.00 C ATOM 894 O TRP A 83 4.383 -7.654 -1.987 1.00 0.00 O ATOM 895 CB TRP A 83 7.023 -5.712 -2.367 1.00 0.00 C ATOM 896 CG TRP A 83 6.851 -5.979 -0.903 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.491 -6.926 -0.158 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.976 -5.286 -0.008 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.065 -6.866 1.146 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.134 -5.866 1.263 1.00 0.00 C ATOM 901 CE3 TRP A 83 5.073 -4.230 -0.160 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.422 -5.425 2.375 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.367 -3.793 0.944 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.545 -4.390 2.197 1.00 0.00 C ATOM 0 H TRP A 83 6.520 -5.038 -4.675 1.00 0.00 H new ATOM 0 HA TRP A 83 6.483 -7.533 -3.379 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.053 -5.930 -2.647 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.860 -4.651 -2.554 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.225 -7.621 -0.538 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.388 -7.467 1.904 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.930 -3.764 -1.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.557 -5.883 3.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.667 -2.978 0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.978 -4.026 3.041 1.00 0.00 H new ATOM 915 N ALA A 84 3.856 -5.617 -2.809 1.00 0.00 N ATOM 916 CA ALA A 84 2.500 -5.611 -2.258 1.00 0.00 C ATOM 917 C ALA A 84 1.625 -6.669 -2.936 1.00 0.00 C ATOM 918 O ALA A 84 0.649 -7.146 -2.355 1.00 0.00 O ATOM 919 CB ALA A 84 1.875 -4.230 -2.400 1.00 0.00 C ATOM 0 H ALA A 84 4.098 -4.777 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 84 2.564 -5.857 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.867 -4.242 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.480 -3.500 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.830 -3.957 -3.454 1.00 0.00 H new ATOM 925 N VAL A 85 1.990 -7.036 -4.167 1.00 0.00 N ATOM 926 CA VAL A 85 1.255 -8.046 -4.921 1.00 0.00 C ATOM 927 C VAL A 85 1.592 -9.442 -4.391 1.00 0.00 C ATOM 928 O VAL A 85 0.759 -10.345 -4.427 1.00 0.00 O ATOM 929 CB VAL A 85 1.577 -7.972 -6.431 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.949 -9.137 -7.181 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.100 -6.650 -7.012 1.00 0.00 C ATOM 0 H VAL A 85 2.793 -6.646 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 85 0.191 -7.850 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 85 2.659 -8.036 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.191 -9.060 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.338 -10.076 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.133 -9.111 -7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.335 -6.614 -8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.022 -6.560 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.601 -5.827 -6.502 1.00 0.00 H new ATOM 941 N ASN A 86 2.824 -9.603 -3.899 1.00 0.00 N ATOM 942 CA ASN A 86 3.278 -10.876 -3.344 1.00 0.00 C ATOM 943 C ASN A 86 2.799 -11.049 -1.898 1.00 0.00 C ATOM 944 O ASN A 86 2.540 -12.170 -1.457 1.00 0.00 O ATOM 945 CB ASN A 86 4.807 -10.962 -3.402 1.00 0.00 C ATOM 946 CG ASN A 86 5.342 -12.268 -2.841 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.640 -12.367 -1.650 1.00 0.00 O ATOM 948 ND2 ASN A 86 5.464 -13.278 -3.696 1.00 0.00 N ATOM 0 H ASN A 86 3.525 -8.863 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 86 2.850 -11.679 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.134 -10.855 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.235 -10.129 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.816 -14.179 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.205 -13.152 -4.675 1.00 0.00 H new ATOM 955 N GLU A 87 2.680 -9.935 -1.167 1.00 0.00 N ATOM 956 CA GLU A 87 2.236 -9.970 0.228 1.00 0.00 C ATOM 957 C GLU A 87 0.755 -10.337 0.330 1.00 0.00 C ATOM 958 O GLU A 87 0.361 -11.113 1.202 1.00 0.00 O ATOM 959 CB GLU A 87 2.476 -8.614 0.901 1.00 0.00 C ATOM 960 CG GLU A 87 3.944 -8.241 1.032 1.00 0.00 C ATOM 961 CD GLU A 87 4.665 -9.048 2.094 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.167 -10.145 1.769 1.00 0.00 O ATOM 963 OE2 GLU A 87 4.730 -8.582 3.252 1.00 0.00 O ATOM 0 H GLU A 87 2.885 -9.000 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 87 2.819 -10.736 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.965 -7.840 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.025 -8.627 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.438 -8.389 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.024 -7.181 1.272 1.00 0.00 H new ATOM 970 N PHE A 88 -0.058 -9.775 -0.568 1.00 0.00 N ATOM 971 CA PHE A 88 -1.497 -10.039 -0.577 1.00 0.00 C ATOM 972 C PHE A 88 -1.905 -10.941 -1.748 1.00 0.00 C ATOM 973 O PHE A 88 -3.098 -11.124 -2.000 1.00 0.00 O ATOM 974 CB PHE A 88 -2.278 -8.722 -0.663 1.00 0.00 C ATOM 975 CG PHE A 88 -2.009 -7.769 0.467 1.00 0.00 C ATOM 976 CD1 PHE A 88 -2.745 -7.836 1.638 1.00 0.00 C ATOM 977 CD2 PHE A 88 -1.026 -6.799 0.352 1.00 0.00 C ATOM 978 CE1 PHE A 88 -2.505 -6.954 2.674 1.00 0.00 C ATOM 979 CE2 PHE A 88 -0.783 -5.914 1.383 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.523 -5.992 2.545 1.00 0.00 C ATOM 0 H PHE A 88 0.256 -9.135 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.735 -10.555 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.034 -8.229 -1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.344 -8.946 -0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.515 -8.586 1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.443 -6.735 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.085 -7.017 3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.015 -5.162 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.334 -5.301 3.353 1.00 0.00 H new ATOM 990 N SER A 89 -0.916 -11.517 -2.452 1.00 0.00 N ATOM 991 CA SER A 89 -1.185 -12.377 -3.609 1.00 0.00 C ATOM 992 C SER A 89 -2.248 -11.746 -4.511 1.00 0.00 C ATOM 993 O SER A 89 -3.263 -12.369 -4.830 1.00 0.00 O ATOM 994 CB SER A 89 -1.624 -13.773 -3.153 1.00 0.00 C ATOM 995 OG SER A 89 -0.616 -14.399 -2.378 1.00 0.00 O ATOM 0 H SER A 89 0.074 -11.401 -2.238 1.00 0.00 H new ATOM 0 HA SER A 89 -0.264 -12.479 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.541 -13.696 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.852 -14.388 -4.024 1.00 0.00 H new ATOM 0 HG SER A 89 -0.922 -15.287 -2.099 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.998 -10.501 -4.920 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.934 -9.763 -5.763 1.00 0.00 C ATOM 1003 C LEU A 90 -2.778 -10.141 -7.236 1.00 0.00 C ATOM 1004 O LEU A 90 -1.918 -10.952 -7.591 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.728 -8.256 -5.575 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.798 -7.767 -4.124 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.587 -6.262 -4.055 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.129 -8.151 -3.494 1.00 0.00 C ATOM 0 H LEU A 90 -1.153 -9.984 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.946 -10.029 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.757 -7.983 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.482 -7.726 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.000 -8.250 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.640 -5.934 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.608 -6.013 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.361 -5.759 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.160 -7.795 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.943 -7.698 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.238 -9.235 -3.507 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.614 -9.549 -8.089 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.569 -9.825 -9.524 1.00 0.00 C ATOM 1022 C LYS A 91 -4.291 -8.741 -10.328 1.00 0.00 C ATOM 1023 O LYS A 91 -5.227 -8.106 -9.836 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.181 -11.201 -9.828 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.684 -11.290 -9.587 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.024 -11.305 -8.104 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.519 -11.470 -7.877 1.00 0.00 C ATOM 1028 NZ LYS A 91 -7.866 -11.489 -6.429 1.00 0.00 N ATOM 0 H LYS A 91 -4.329 -8.877 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.521 -9.827 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.977 -11.454 -10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.682 -11.951 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.178 -10.443 -10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.074 -12.193 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.489 -12.119 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.685 -10.378 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.052 -10.655 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.856 -12.396 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.894 -11.603 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.378 -12.282 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.568 -10.595 -5.989 1.00 0.00 H new ATOM 1042 N GLY A 92 -3.843 -8.540 -11.569 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.453 -7.545 -12.438 1.00 0.00 C ATOM 1044 C GLY A 92 -3.794 -6.173 -12.363 1.00 0.00 C ATOM 1045 O GLY A 92 -4.111 -5.295 -13.168 1.00 0.00 O ATOM 0 H GLY A 92 -3.066 -9.051 -11.988 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.412 -7.901 -13.467 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.507 -7.446 -12.177 1.00 0.00 H new ATOM 1049 N VAL A 93 -2.877 -5.979 -11.410 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.197 -4.695 -11.257 1.00 0.00 C ATOM 1051 C VAL A 93 -1.012 -4.582 -12.212 1.00 0.00 C ATOM 1052 O VAL A 93 -0.264 -5.543 -12.406 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.712 -4.471 -9.805 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.634 -5.474 -9.422 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.210 -3.045 -9.621 1.00 0.00 C ATOM 0 H VAL A 93 -2.592 -6.692 -10.738 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.927 -3.923 -11.500 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.562 -4.626 -9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.314 -5.290 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.033 -6.485 -9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.218 -5.366 -10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.873 -2.907 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.380 -2.861 -10.303 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.017 -2.345 -9.835 1.00 0.00 H new ATOM 1065 N ASP A 94 -0.851 -3.403 -12.808 1.00 0.00 N ATOM 1066 CA ASP A 94 0.239 -3.158 -13.743 1.00 0.00 C ATOM 1067 C ASP A 94 1.183 -2.082 -13.212 1.00 0.00 C ATOM 1068 O ASP A 94 0.778 -1.209 -12.440 1.00 0.00 O ATOM 1069 CB ASP A 94 -0.318 -2.746 -15.109 1.00 0.00 C ATOM 1070 CG ASP A 94 -0.811 -1.312 -15.140 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -1.848 -1.022 -14.506 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -0.158 -0.482 -15.801 1.00 0.00 O ATOM 0 H ASP A 94 -1.464 -2.602 -12.658 1.00 0.00 H new ATOM 0 HA ASP A 94 0.805 -4.083 -13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.457 -2.874 -15.865 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.138 -3.412 -15.377 1.00 0.00 H new ATOM 1077 N PHE A 95 2.443 -2.150 -13.636 1.00 0.00 N ATOM 1078 CA PHE A 95 3.454 -1.184 -13.210 1.00 0.00 C ATOM 1079 C PHE A 95 3.606 -0.047 -14.228 1.00 0.00 C ATOM 1080 O PHE A 95 4.278 0.947 -13.948 1.00 0.00 O ATOM 1081 CB PHE A 95 4.800 -1.880 -12.988 1.00 0.00 C ATOM 1082 CG PHE A 95 4.709 -3.098 -12.111 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.691 -2.976 -10.731 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.637 -4.364 -12.669 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.603 -4.093 -9.925 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.548 -5.486 -11.867 1.00 0.00 C ATOM 1087 CZ PHE A 95 4.531 -5.350 -10.493 1.00 0.00 C ATOM 0 H PHE A 95 2.789 -2.865 -14.275 1.00 0.00 H new ATOM 0 HA PHE A 95 3.121 -0.749 -12.268 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.215 -2.168 -13.954 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.497 -1.171 -12.541 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.746 -1.996 -10.281 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.651 -4.475 -13.743 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.590 -3.984 -8.851 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.492 -6.467 -12.314 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.462 -6.225 -9.864 1.00 0.00 H new ATOM 1097 N GLN A 96 2.983 -0.193 -15.405 1.00 0.00 N ATOM 1098 CA GLN A 96 3.041 0.843 -16.437 1.00 0.00 C ATOM 1099 C GLN A 96 2.368 2.119 -15.934 1.00 0.00 C ATOM 1100 O GLN A 96 2.878 3.223 -16.135 1.00 0.00 O ATOM 1101 CB GLN A 96 2.365 0.365 -17.728 1.00 0.00 C ATOM 1102 CG GLN A 96 2.950 -0.924 -18.291 1.00 0.00 C ATOM 1103 CD GLN A 96 4.439 -0.821 -18.571 1.00 0.00 C ATOM 1104 OE1 GLN A 96 4.850 -0.424 -19.661 1.00 0.00 O ATOM 1105 NE2 GLN A 96 5.256 -1.183 -17.586 1.00 0.00 N ATOM 0 H GLN A 96 2.437 -1.015 -15.663 1.00 0.00 H new ATOM 0 HA GLN A 96 4.088 1.053 -16.656 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.302 0.217 -17.537 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.447 1.149 -18.481 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.773 -1.736 -17.586 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.429 -1.182 -19.213 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.872 -1.506 -16.698 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.266 -1.137 -17.719 1.00 0.00 H new ATOM 1114 N LYS A 97 1.218 1.951 -15.275 1.00 0.00 N ATOM 1115 CA LYS A 97 0.468 3.068 -14.707 1.00 0.00 C ATOM 1116 C LYS A 97 1.245 3.734 -13.571 1.00 0.00 C ATOM 1117 O LYS A 97 1.137 4.944 -13.366 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.888 2.582 -14.182 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.866 2.177 -15.277 1.00 0.00 C ATOM 1120 CD LYS A 97 -2.045 3.282 -16.304 1.00 0.00 C ATOM 1121 CE LYS A 97 -3.070 2.902 -17.361 1.00 0.00 C ATOM 1122 NZ LYS A 97 -3.253 3.979 -18.373 1.00 0.00 N ATOM 0 H LYS A 97 0.785 1.040 -15.122 1.00 0.00 H new ATOM 0 HA LYS A 97 0.312 3.802 -15.498 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.726 1.731 -13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.338 3.372 -13.581 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.506 1.275 -15.772 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.831 1.933 -14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.360 4.198 -15.803 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.089 3.493 -16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.754 1.986 -17.860 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.025 2.690 -16.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.960 3.680 -19.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.579 4.847 -17.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.348 4.164 -18.851 1.00 0.00 H new ATOM 1136 N PHE A 98 2.029 2.938 -12.834 1.00 0.00 N ATOM 1137 CA PHE A 98 2.820 3.456 -11.718 1.00 0.00 C ATOM 1138 C PHE A 98 4.280 3.686 -12.121 1.00 0.00 C ATOM 1139 O PHE A 98 5.189 3.522 -11.303 1.00 0.00 O ATOM 1140 CB PHE A 98 2.755 2.493 -10.528 1.00 0.00 C ATOM 1141 CG PHE A 98 1.363 2.270 -10.006 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.580 3.340 -9.605 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.840 0.990 -9.916 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.698 3.138 -9.124 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.438 0.783 -9.436 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.208 1.859 -9.039 1.00 0.00 C ATOM 0 H PHE A 98 2.131 1.935 -12.992 1.00 0.00 H new ATOM 0 HA PHE A 98 2.393 4.417 -11.430 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.180 1.534 -10.824 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.377 2.882 -9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.974 4.344 -9.669 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.438 0.145 -10.225 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.298 3.981 -8.814 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.835 -0.219 -9.371 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.208 1.699 -8.663 1.00 0.00 H new ATOM 1156 N CYS A 99 4.504 4.071 -13.380 1.00 0.00 N ATOM 1157 CA CYS A 99 5.855 4.330 -13.873 1.00 0.00 C ATOM 1158 C CYS A 99 6.249 5.783 -13.601 1.00 0.00 C ATOM 1159 O CYS A 99 6.454 6.572 -14.527 1.00 0.00 O ATOM 1160 CB CYS A 99 5.945 4.015 -15.371 1.00 0.00 C ATOM 1161 SG CYS A 99 7.616 4.125 -16.054 1.00 0.00 S ATOM 0 H CYS A 99 3.768 4.209 -14.073 1.00 0.00 H new ATOM 0 HA CYS A 99 6.552 3.680 -13.344 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.560 3.010 -15.543 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.297 4.702 -15.915 1.00 0.00 H new ATOM 0 HG CYS A 99 8.299 5.009 -15.389 1.00 0.00 H new ATOM 1167 N MET A 100 6.349 6.127 -12.316 1.00 0.00 N ATOM 1168 CA MET A 100 6.706 7.481 -11.901 1.00 0.00 C ATOM 1169 C MET A 100 7.290 7.479 -10.488 1.00 0.00 C ATOM 1170 O MET A 100 7.235 6.468 -9.785 1.00 0.00 O ATOM 1171 CB MET A 100 5.475 8.392 -11.959 1.00 0.00 C ATOM 1172 CG MET A 100 4.476 8.144 -10.836 1.00 0.00 C ATOM 1173 SD MET A 100 2.857 8.864 -11.170 1.00 0.00 S ATOM 1174 CE MET A 100 2.234 7.735 -12.414 1.00 0.00 C ATOM 0 H MET A 100 6.187 5.482 -11.543 1.00 0.00 H new ATOM 0 HA MET A 100 7.464 7.861 -12.586 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.801 9.431 -11.920 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.974 8.251 -12.917 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.367 7.070 -10.684 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.869 8.559 -9.908 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.929 8.298 -13.296 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.016 7.027 -12.688 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.377 7.192 -12.016 1.00 0.00 H new ATOM 1184 N SER A 101 7.844 8.619 -10.078 1.00 0.00 N ATOM 1185 CA SER A 101 8.436 8.750 -8.749 1.00 0.00 C ATOM 1186 C SER A 101 7.359 8.906 -7.673 1.00 0.00 C ATOM 1187 O SER A 101 6.191 9.157 -7.979 1.00 0.00 O ATOM 1188 CB SER A 101 9.402 9.939 -8.705 1.00 0.00 C ATOM 1189 OG SER A 101 8.726 11.160 -8.954 1.00 0.00 O ATOM 0 H SER A 101 7.895 9.464 -10.647 1.00 0.00 H new ATOM 0 HA SER A 101 8.992 7.835 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.886 9.981 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.189 9.799 -9.446 1.00 0.00 H new ATOM 0 HG SER A 101 9.366 11.901 -8.918 1.00 0.00 H new ATOM 1195 N GLY A 102 7.767 8.754 -6.414 1.00 0.00 N ATOM 1196 CA GLY A 102 6.845 8.872 -5.296 1.00 0.00 C ATOM 1197 C GLY A 102 6.163 10.225 -5.237 1.00 0.00 C ATOM 1198 O GLY A 102 4.956 10.301 -5.003 1.00 0.00 O ATOM 0 H GLY A 102 8.730 8.549 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.088 8.092 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.386 8.702 -4.365 1.00 0.00 H new ATOM 1202 N ALA A 103 6.935 11.295 -5.447 1.00 0.00 N ATOM 1203 CA ALA A 103 6.393 12.653 -5.431 1.00 0.00 C ATOM 1204 C ALA A 103 5.204 12.778 -6.385 1.00 0.00 C ATOM 1205 O ALA A 103 4.215 13.442 -6.073 1.00 0.00 O ATOM 1206 CB ALA A 103 7.474 13.660 -5.798 1.00 0.00 C ATOM 0 H ALA A 103 7.937 11.245 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 103 6.043 12.867 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.055 14.666 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.291 13.595 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.852 13.441 -6.797 1.00 0.00 H new ATOM 1212 N ALA A 104 5.313 12.129 -7.547 1.00 0.00 N ATOM 1213 CA ALA A 104 4.249 12.149 -8.547 1.00 0.00 C ATOM 1214 C ALA A 104 3.067 11.294 -8.096 1.00 0.00 C ATOM 1215 O ALA A 104 1.914 11.716 -8.182 1.00 0.00 O ATOM 1216 CB ALA A 104 4.775 11.655 -9.886 1.00 0.00 C ATOM 0 H ALA A 104 6.131 11.582 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 104 3.905 13.177 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.972 11.675 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.588 12.301 -10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.143 10.635 -9.778 1.00 0.00 H new ATOM 1222 N LEU A 105 3.373 10.086 -7.614 1.00 0.00 N ATOM 1223 CA LEU A 105 2.357 9.150 -7.135 1.00 0.00 C ATOM 1224 C LEU A 105 1.494 9.783 -6.039 1.00 0.00 C ATOM 1225 O LEU A 105 0.267 9.666 -6.065 1.00 0.00 O ATOM 1226 CB LEU A 105 3.030 7.879 -6.606 1.00 0.00 C ATOM 1227 CG LEU A 105 2.121 6.654 -6.498 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.707 6.169 -7.880 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.820 5.544 -5.725 1.00 0.00 C ATOM 0 H LEU A 105 4.327 9.733 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 105 1.706 8.895 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.868 7.633 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.445 8.091 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 105 1.220 6.938 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.061 5.297 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.169 6.963 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.595 5.900 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.161 4.678 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.737 5.262 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.063 5.896 -4.722 1.00 0.00 H new ATOM 1241 N CYS A 106 2.140 10.450 -5.080 1.00 0.00 N ATOM 1242 CA CYS A 106 1.428 11.109 -3.985 1.00 0.00 C ATOM 1243 C CYS A 106 0.605 12.289 -4.504 1.00 0.00 C ATOM 1244 O CYS A 106 -0.532 12.498 -4.078 1.00 0.00 O ATOM 1245 CB CYS A 106 2.413 11.591 -2.916 1.00 0.00 C ATOM 1246 SG CYS A 106 3.350 10.264 -2.121 1.00 0.00 S ATOM 0 H CYS A 106 3.155 10.548 -5.040 1.00 0.00 H new ATOM 0 HA CYS A 106 0.750 10.381 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.112 12.292 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.863 12.141 -2.152 1.00 0.00 H new ATOM 0 HG CYS A 106 4.293 9.860 -2.920 1.00 0.00 H new ATOM 1252 N ALA A 107 1.192 13.056 -5.428 1.00 0.00 N ATOM 1253 CA ALA A 107 0.518 14.212 -6.022 1.00 0.00 C ATOM 1254 C ALA A 107 -0.761 13.800 -6.755 1.00 0.00 C ATOM 1255 O ALA A 107 -1.729 14.561 -6.802 1.00 0.00 O ATOM 1256 CB ALA A 107 1.459 14.937 -6.975 1.00 0.00 C ATOM 0 H ALA A 107 2.135 12.895 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 107 0.237 14.886 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.946 15.795 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.338 15.279 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.767 14.257 -7.769 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.755 12.592 -7.326 1.00 0.00 N ATOM 1263 CA LEU A 108 -1.908 12.071 -8.061 1.00 0.00 C ATOM 1264 C LEU A 108 -3.151 11.956 -7.175 1.00 0.00 C ATOM 1265 O LEU A 108 -4.259 12.267 -7.612 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.577 10.702 -8.664 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.663 10.734 -9.891 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.258 9.324 -10.289 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.354 11.438 -11.051 1.00 0.00 C ATOM 0 H LEU A 108 0.041 11.955 -7.292 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.130 12.781 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.106 10.089 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.509 10.209 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 108 0.238 11.292 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.392 9.365 -11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.274 8.852 -9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.149 8.743 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.690 11.452 -11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.270 10.906 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.597 12.461 -10.763 1.00 0.00 H new ATOM 1281 N GLY A 109 -2.960 11.524 -5.928 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.080 11.361 -5.017 1.00 0.00 C ATOM 1283 C GLY A 109 -4.686 9.968 -5.083 1.00 0.00 C ATOM 1284 O GLY A 109 -4.317 9.164 -5.941 1.00 0.00 O ATOM 0 H GLY A 109 -2.050 11.285 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.748 11.561 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.847 12.099 -5.253 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.616 9.685 -4.171 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.281 8.380 -4.116 1.00 0.00 C ATOM 1290 C LYS A 110 -7.011 8.055 -5.421 1.00 0.00 C ATOM 1291 O LYS A 110 -6.770 7.010 -6.022 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.270 8.335 -2.947 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.000 7.006 -2.816 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.030 7.040 -1.699 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.228 7.903 -2.067 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.208 8.005 -0.950 1.00 0.00 N ATOM 0 H LYS A 110 -5.928 10.344 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.506 7.628 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.733 8.538 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.003 9.132 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.493 6.767 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.279 6.212 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.365 6.026 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.569 7.426 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.885 8.901 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.721 7.484 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.008 8.601 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.555 7.056 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.746 8.429 -0.120 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.904 8.952 -5.849 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.678 8.749 -7.079 1.00 0.00 C ATOM 1312 C GLU A 111 -7.779 8.428 -8.275 1.00 0.00 C ATOM 1313 O GLU A 111 -8.024 7.454 -8.988 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.555 9.971 -7.382 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.782 11.275 -7.533 1.00 0.00 C ATOM 1316 CD GLU A 111 -9.688 12.457 -7.821 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -10.152 13.099 -6.855 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.933 12.740 -9.013 1.00 0.00 O ATOM 0 H GLU A 111 -8.109 9.825 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.324 7.887 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.113 9.785 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.286 10.086 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.218 11.467 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.056 11.172 -8.340 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.738 9.234 -8.491 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.820 9.008 -9.607 1.00 0.00 C ATOM 1327 C CYS A 112 -5.087 7.677 -9.452 1.00 0.00 C ATOM 1328 O CYS A 112 -4.952 6.922 -10.415 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.816 10.155 -9.720 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.544 11.720 -10.262 1.00 0.00 S ATOM 0 H CYS A 112 -6.511 10.043 -7.912 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.410 8.969 -10.523 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.340 10.304 -8.751 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.031 9.869 -10.420 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.353 12.626 -9.350 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.623 7.392 -8.233 1.00 0.00 N ATOM 1337 CA PHE A 113 -3.915 6.146 -7.947 1.00 0.00 C ATOM 1338 C PHE A 113 -4.830 4.941 -8.172 1.00 0.00 C ATOM 1339 O PHE A 113 -4.404 3.922 -8.719 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.395 6.155 -6.506 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.582 4.944 -6.149 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.191 3.813 -5.631 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.210 4.939 -6.330 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.445 2.698 -5.302 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.458 3.828 -6.002 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.076 2.706 -5.488 1.00 0.00 C ATOM 0 H PHE A 113 -4.726 8.010 -7.428 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.068 6.065 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.787 7.047 -6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.242 6.227 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.261 3.803 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.722 5.814 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.931 1.821 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.612 3.837 -6.147 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.490 1.836 -5.232 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.090 5.068 -7.744 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.072 3.998 -7.906 1.00 0.00 C ATOM 1358 C LEU A 114 -7.371 3.757 -9.388 1.00 0.00 C ATOM 1359 O LEU A 114 -7.754 2.656 -9.776 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.360 4.335 -7.151 1.00 0.00 C ATOM 1361 CG LEU A 114 -9.192 3.128 -6.714 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -8.385 2.230 -5.787 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.474 3.587 -6.033 1.00 0.00 C ATOM 0 H LEU A 114 -6.451 5.903 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.652 3.083 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.102 4.918 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -8.978 4.972 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.459 2.552 -7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.993 1.377 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.495 1.876 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.088 2.793 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.055 2.717 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.226 4.184 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.060 4.189 -6.728 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.210 4.802 -10.205 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.427 4.699 -11.648 1.00 0.00 C ATOM 1377 C GLU A 115 -6.248 3.988 -12.324 1.00 0.00 C ATOM 1378 O GLU A 115 -6.396 3.415 -13.405 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.618 6.091 -12.259 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.939 6.746 -11.882 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.006 8.206 -12.289 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -9.332 8.481 -13.463 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.736 9.074 -11.432 1.00 0.00 O ATOM 0 H GLU A 115 -6.929 5.730 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.330 4.112 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.799 6.735 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.557 6.014 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.757 6.203 -12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.085 6.666 -10.805 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.077 4.032 -11.676 1.00 0.00 N ATOM 1391 CA LEU A 116 -3.870 3.391 -12.199 1.00 0.00 C ATOM 1392 C LEU A 116 -3.874 1.886 -11.914 1.00 0.00 C ATOM 1393 O LEU A 116 -3.372 1.094 -12.713 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.624 4.026 -11.574 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.421 5.513 -11.874 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.209 6.044 -11.125 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.268 5.746 -13.371 1.00 0.00 C ATOM 0 H LEU A 116 -4.943 4.508 -10.784 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.854 3.538 -13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.674 3.895 -10.493 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.747 3.480 -11.921 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.304 6.055 -11.534 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.078 7.103 -11.349 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.359 5.916 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.320 5.495 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.125 6.810 -13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.404 5.192 -13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.165 5.403 -13.886 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.443 1.503 -10.769 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.511 0.097 -10.375 1.00 0.00 C ATOM 1411 C ALA A 117 -5.942 -0.432 -10.456 1.00 0.00 C ATOM 1412 O ALA A 117 -6.895 0.345 -10.501 1.00 0.00 O ATOM 1413 CB ALA A 117 -3.961 -0.090 -8.967 1.00 0.00 C ATOM 0 H ALA A 117 -4.863 2.148 -10.099 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.898 -0.474 -11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.020 -1.143 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.921 0.236 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.548 0.503 -8.265 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.105 -1.768 -10.497 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.426 -2.409 -10.560 1.00 0.00 C ATOM 1421 C PRO A 118 -8.399 -1.887 -9.500 1.00 0.00 C ATOM 1422 O PRO A 118 -8.003 -1.229 -8.535 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.119 -3.883 -10.303 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.712 -4.068 -10.749 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.011 -2.756 -10.517 1.00 0.00 C ATOM 0 HA PRO A 118 -7.916 -2.211 -11.513 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.234 -4.132 -9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.797 -4.530 -10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.230 -4.869 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.673 -4.347 -11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.458 -2.759 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.293 -2.541 -11.309 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.677 -2.205 -9.695 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.744 -1.791 -8.783 1.00 0.00 C ATOM 1435 C ASP A 119 -10.634 -2.455 -7.406 1.00 0.00 C ATOM 1436 O ASP A 119 -11.280 -2.007 -6.457 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.107 -2.128 -9.395 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.376 -1.358 -10.675 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -12.905 -0.230 -10.588 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.057 -1.883 -11.762 1.00 0.00 O ATOM 0 H ASP A 119 -10.003 -2.756 -10.489 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.642 -0.715 -8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.155 -3.197 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.891 -1.908 -8.671 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.831 -3.520 -7.293 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.697 -4.213 -6.010 1.00 0.00 C ATOM 1447 C PHE A 120 -8.333 -3.961 -5.362 1.00 0.00 C ATOM 1448 O PHE A 120 -8.254 -3.412 -4.261 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.958 -5.714 -6.165 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.290 -6.036 -6.787 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -11.456 -5.992 -8.164 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -12.373 -6.386 -5.997 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -12.677 -6.288 -8.738 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -13.597 -6.683 -6.567 1.00 0.00 C ATOM 1455 CZ PHE A 120 -13.748 -6.634 -7.939 1.00 0.00 C ATOM 0 H PHE A 120 -9.277 -3.912 -8.055 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.454 -3.801 -5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.167 -6.150 -6.775 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.901 -6.187 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.621 -5.723 -8.794 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -12.260 -6.427 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.794 -6.249 -9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.434 -6.953 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.703 -6.866 -8.386 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.262 -4.368 -6.052 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.896 -4.203 -5.541 1.00 0.00 C ATOM 1467 C VAL A 121 -5.541 -2.731 -5.304 1.00 0.00 C ATOM 1468 O VAL A 121 -4.799 -2.413 -4.373 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.851 -4.824 -6.495 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.198 -6.270 -6.818 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.729 -4.007 -7.767 1.00 0.00 C ATOM 0 H VAL A 121 -7.315 -4.815 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.869 -4.728 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.886 -4.813 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.447 -6.683 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.220 -6.853 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.176 -6.311 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.988 -4.463 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.693 -3.977 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.418 -2.992 -7.519 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.070 -1.841 -6.152 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.798 -0.416 -6.018 1.00 0.00 C ATOM 1483 C GLY A 122 -6.064 0.114 -4.617 1.00 0.00 C ATOM 1484 O GLY A 122 -5.342 0.988 -4.134 1.00 0.00 O ATOM 0 H GLY A 122 -6.683 -2.085 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.758 -0.225 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.413 0.134 -6.731 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.101 -0.417 -3.967 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.464 0.002 -2.612 1.00 0.00 C ATOM 1490 C ASP A 123 -6.377 -0.372 -1.605 1.00 0.00 C ATOM 1491 O ASP A 123 -5.971 0.454 -0.788 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.793 -0.635 -2.196 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.939 -0.226 -3.101 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.567 0.819 -2.830 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.206 -0.950 -4.083 1.00 0.00 O ATOM 0 H ASP A 123 -7.705 -1.140 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.569 1.087 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.692 -1.720 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.024 -0.349 -1.170 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.914 -1.624 -1.671 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.874 -2.117 -0.765 1.00 0.00 C ATOM 1502 C ILE A 124 -3.611 -1.264 -0.853 1.00 0.00 C ATOM 1503 O ILE A 124 -3.121 -0.763 0.161 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.498 -3.583 -1.076 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.731 -4.484 -1.003 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.422 -4.072 -0.113 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.441 -5.923 -1.362 1.00 0.00 C ATOM 0 H ILE A 124 -6.244 -2.315 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.288 -2.056 0.242 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.102 -3.628 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.143 -4.444 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.496 -4.096 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.168 -5.106 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.533 -3.449 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.794 -4.011 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.358 -6.508 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.057 -5.974 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.698 -6.327 -0.674 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.088 -1.114 -2.070 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.877 -0.328 -2.296 1.00 0.00 C ATOM 1521 C LEU A 125 -2.008 1.076 -1.709 1.00 0.00 C ATOM 1522 O LEU A 125 -1.172 1.485 -0.907 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.542 -0.253 -3.788 1.00 0.00 C ATOM 1524 CG LEU A 125 -0.697 -1.411 -4.324 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.459 -2.724 -4.236 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.272 -1.136 -5.758 1.00 0.00 C ATOM 0 H LEU A 125 -3.485 -1.527 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.059 -0.834 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.474 -0.213 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -1.013 0.681 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 125 0.197 -1.497 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.838 -3.532 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.713 -2.928 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.373 -2.655 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.328 -1.968 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.157 -1.022 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.318 -0.220 -5.793 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.056 1.808 -2.095 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.267 3.161 -1.576 1.00 0.00 C ATOM 1540 C TRP A 126 -3.471 3.144 -0.056 1.00 0.00 C ATOM 1541 O TRP A 126 -3.122 4.110 0.621 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.447 3.851 -2.276 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.126 4.883 -1.422 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.800 6.202 -1.318 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.232 4.671 -0.537 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.637 6.826 -0.426 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.525 5.907 0.067 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -7.004 3.557 -0.199 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.557 6.059 0.991 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.028 3.708 0.717 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.296 4.951 1.303 1.00 0.00 C ATOM 0 H TRP A 126 -3.764 1.491 -2.757 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.367 3.738 -1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.091 4.324 -3.191 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.177 3.097 -2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.000 6.686 -1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.603 7.813 -0.172 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.804 2.594 -0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.766 7.017 1.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.631 2.853 0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.103 5.037 2.016 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.028 2.059 0.479 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.235 1.950 1.921 1.00 0.00 C ATOM 1564 C GLU A 127 -2.889 2.044 2.646 1.00 0.00 C ATOM 1565 O GLU A 127 -2.676 2.941 3.464 1.00 0.00 O ATOM 1566 CB GLU A 127 -4.937 0.630 2.267 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.549 0.601 3.662 1.00 0.00 C ATOM 1568 CD GLU A 127 -4.517 0.731 4.767 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -3.745 -0.228 4.977 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -4.484 1.792 5.422 1.00 0.00 O ATOM 0 H GLU A 127 -4.341 1.251 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.873 2.771 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.721 0.444 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.219 -0.185 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.273 1.411 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.097 -0.332 3.793 1.00 0.00 H new ATOM 1577 N HIS A 128 -1.982 1.120 2.324 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.649 1.094 2.927 1.00 0.00 C ATOM 1579 C HIS A 128 0.191 2.281 2.443 1.00 0.00 C ATOM 1580 O HIS A 128 0.981 2.844 3.203 1.00 0.00 O ATOM 1581 CB HIS A 128 0.054 -0.225 2.588 1.00 0.00 C ATOM 1582 CG HIS A 128 1.407 -0.382 3.216 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.375 -1.223 2.708 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.952 0.192 4.316 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.454 -1.159 3.466 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.223 -0.307 4.447 1.00 0.00 N ATOM 0 H HIS A 128 -2.148 0.377 1.646 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.758 1.172 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.580 -1.053 2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.158 -0.300 1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.475 0.909 4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.370 -1.710 3.310 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.883 -0.059 5.184 1.00 0.00 H new ATOM 1595 N LEU A 129 0.011 2.653 1.173 1.00 0.00 N ATOM 1596 CA LEU A 129 0.741 3.774 0.581 1.00 0.00 C ATOM 1597 C LEU A 129 0.426 5.076 1.314 1.00 0.00 C ATOM 1598 O LEU A 129 1.326 5.871 1.591 1.00 0.00 O ATOM 1599 CB LEU A 129 0.391 3.916 -0.903 1.00 0.00 C ATOM 1600 CG LEU A 129 1.195 4.971 -1.668 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.659 4.567 -1.762 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.606 5.185 -3.054 1.00 0.00 C ATOM 0 H LEU A 129 -0.637 2.192 0.534 1.00 0.00 H new ATOM 0 HA LEU A 129 1.807 3.570 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.537 2.951 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.668 4.159 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 129 1.137 5.912 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.213 5.330 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.074 4.467 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.741 3.614 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.189 5.938 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.633 4.247 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.426 5.523 -2.962 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.856 5.288 1.629 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.277 6.495 2.334 1.00 0.00 C ATOM 1616 C GLU A 130 -0.732 6.488 3.761 1.00 0.00 C ATOM 1617 O GLU A 130 -0.418 7.540 4.320 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.806 6.616 2.339 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.312 7.940 2.890 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.820 8.075 2.797 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.520 7.567 3.698 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.302 8.692 1.824 1.00 0.00 O ATOM 0 H GLU A 130 -1.613 4.642 1.407 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.872 7.361 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.175 6.491 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.224 5.802 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.006 8.036 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.844 8.759 2.344 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.627 5.288 4.345 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.093 5.129 5.695 1.00 0.00 C ATOM 1631 C ILE A 131 1.334 5.673 5.761 1.00 0.00 C ATOM 1632 O ILE A 131 1.707 6.345 6.722 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.108 3.645 6.134 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.538 3.195 6.444 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.796 3.421 7.339 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.660 1.709 6.706 1.00 0.00 C ATOM 0 H ILE A 131 -0.906 4.414 3.899 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.730 5.693 6.377 1.00 0.00 H new ATOM 0 HB ILE A 131 0.276 3.044 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.901 3.740 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.184 3.463 5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.766 2.370 7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.819 3.698 7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.451 4.034 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.700 1.461 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.327 1.156 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.040 1.438 7.561 1.00 0.00 H new ATOM 1648 N LEU A 132 2.124 5.373 4.726 1.00 0.00 N ATOM 1649 CA LEU A 132 3.505 5.848 4.636 1.00 0.00 C ATOM 1650 C LEU A 132 3.553 7.375 4.689 1.00 0.00 C ATOM 1651 O LEU A 132 4.452 7.958 5.295 1.00 0.00 O ATOM 1652 CB LEU A 132 4.151 5.358 3.335 1.00 0.00 C ATOM 1653 CG LEU A 132 4.303 3.840 3.211 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.813 3.467 1.827 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.239 3.307 4.287 1.00 0.00 C ATOM 0 H LEU A 132 1.827 4.800 3.936 1.00 0.00 H new ATOM 0 HA LEU A 132 4.059 5.448 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.555 5.717 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.137 5.814 3.244 1.00 0.00 H new ATOM 0 HG LEU A 132 3.323 3.383 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.915 2.384 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.107 3.815 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.783 3.935 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.335 2.226 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.220 3.770 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.834 3.542 5.271 1.00 0.00 H new ATOM 1667 N GLN A 133 2.574 8.012 4.040 1.00 0.00 N ATOM 1668 CA GLN A 133 2.479 9.469 4.006 1.00 0.00 C ATOM 1669 C GLN A 133 2.192 10.030 5.399 1.00 0.00 C ATOM 1670 O GLN A 133 2.916 10.898 5.889 1.00 0.00 O ATOM 1671 CB GLN A 133 1.376 9.902 3.035 1.00 0.00 C ATOM 1672 CG GLN A 133 1.533 9.329 1.634 1.00 0.00 C ATOM 1673 CD GLN A 133 0.350 9.638 0.734 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.291 10.681 0.864 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.053 8.727 -0.187 1.00 0.00 N ATOM 0 H GLN A 133 1.832 7.534 3.528 1.00 0.00 H new ATOM 0 HA GLN A 133 3.436 9.864 3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.410 9.596 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.365 10.990 2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.441 9.729 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.660 8.248 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.610 7.876 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.732 8.879 -0.820 1.00 0.00 H new