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 106 CYS SG : rot 72:sc= -4.96! USER MOD Set 1.2: A 133 GLN : amide:sc= -0.364 X(o=-5.3,f=-5.7) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.5!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 82 MET CE :methyl -165:sc= -2.05 (180deg=-2.52) USER MOD Single : A 86 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.6!) 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= -0.285 K(o=-0.29,f=-2.9!) USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= -0.0299 (180deg=-0.282) USER MOD Single : A 99 CYS SG : rot -31:sc= 0.692 USER MOD Single : A 100 MET CE :methyl -133:sc= 0 (180deg=-0.0822) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.655 X(o=-0.65,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.350 -7.129 7.120 1.00 0.00 N ATOM 414 CA GLY A 55 6.920 -7.758 5.938 1.00 0.00 C ATOM 415 C GLY A 55 7.429 -6.745 4.918 1.00 0.00 C ATOM 416 O GLY A 55 8.069 -7.122 3.935 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.741 -8.409 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.167 -8.391 5.470 1.00 0.00 H new ATOM 420 N PHE A 56 7.155 -5.460 5.159 1.00 0.00 N ATOM 421 CA PHE A 56 7.590 -4.400 4.256 1.00 0.00 C ATOM 422 C PHE A 56 8.908 -3.794 4.730 1.00 0.00 C ATOM 423 O PHE A 56 9.822 -3.598 3.932 1.00 0.00 O ATOM 424 CB PHE A 56 6.522 -3.309 4.127 1.00 0.00 C ATOM 425 CG PHE A 56 6.863 -2.265 3.097 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.326 -2.634 1.842 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.730 -0.916 3.384 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.649 -1.680 0.897 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.050 0.043 2.443 1.00 0.00 C ATOM 430 CZ PHE A 56 7.511 -0.340 1.198 1.00 0.00 C ATOM 0 H PHE A 56 6.634 -5.132 5.972 1.00 0.00 H new ATOM 0 HA PHE A 56 7.743 -4.845 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.570 -3.771 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.387 -2.825 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.435 -3.681 1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.372 -0.611 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.009 -1.982 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.940 1.091 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.763 0.408 0.461 1.00 0.00 H new ATOM 440 N THR A 57 9.001 -3.504 6.032 1.00 0.00 N ATOM 441 CA THR A 57 10.218 -2.929 6.606 1.00 0.00 C ATOM 442 C THR A 57 11.429 -3.819 6.324 1.00 0.00 C ATOM 443 O THR A 57 12.517 -3.316 6.040 1.00 0.00 O ATOM 444 CB THR A 57 10.086 -2.705 8.127 1.00 0.00 C ATOM 445 OG1 THR A 57 8.946 -1.884 8.406 1.00 0.00 O ATOM 446 CG2 THR A 57 11.337 -2.047 8.692 1.00 0.00 C ATOM 0 H THR A 57 8.250 -3.658 6.705 1.00 0.00 H new ATOM 0 HA THR A 57 10.364 -1.960 6.128 1.00 0.00 H new ATOM 0 HB THR A 57 9.960 -3.678 8.602 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.869 -1.749 9.374 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.218 -1.900 9.765 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.200 -2.687 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.490 -1.082 8.209 1.00 0.00 H new ATOM 454 N LYS A 58 11.236 -5.137 6.401 1.00 0.00 N ATOM 455 CA LYS A 58 12.318 -6.084 6.130 1.00 0.00 C ATOM 456 C LYS A 58 12.804 -5.942 4.689 1.00 0.00 C ATOM 457 O LYS A 58 13.996 -6.073 4.413 1.00 0.00 O ATOM 458 CB LYS A 58 11.860 -7.525 6.385 1.00 0.00 C ATOM 459 CG LYS A 58 10.705 -7.971 5.499 1.00 0.00 C ATOM 460 CD LYS A 58 10.266 -9.389 5.826 1.00 0.00 C ATOM 461 CE LYS A 58 9.361 -9.955 4.743 1.00 0.00 C ATOM 462 NZ LYS A 58 8.988 -11.372 5.010 1.00 0.00 N ATOM 0 H LYS A 58 10.346 -5.570 6.647 1.00 0.00 H new ATOM 0 HA LYS A 58 13.141 -5.856 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.704 -8.197 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.563 -7.622 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.863 -7.290 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.005 -7.914 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.143 -10.026 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.741 -9.398 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.457 -9.350 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.865 -9.888 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.371 -11.718 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.848 -11.955 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.484 -11.433 5.918 1.00 0.00 H new ATOM 476 N GLU A 59 11.867 -5.666 3.778 1.00 0.00 N ATOM 477 CA GLU A 59 12.187 -5.492 2.367 1.00 0.00 C ATOM 478 C GLU A 59 12.859 -4.139 2.137 1.00 0.00 C ATOM 479 O GLU A 59 13.812 -4.034 1.362 1.00 0.00 O ATOM 480 CB GLU A 59 10.916 -5.594 1.520 1.00 0.00 C ATOM 481 CG GLU A 59 11.173 -5.580 0.022 1.00 0.00 C ATOM 482 CD GLU A 59 11.991 -6.771 -0.444 1.00 0.00 C ATOM 483 OE1 GLU A 59 11.388 -7.823 -0.744 1.00 0.00 O ATOM 484 OE2 GLU A 59 13.232 -6.651 -0.507 1.00 0.00 O ATOM 0 H GLU A 59 10.877 -5.559 3.999 1.00 0.00 H new ATOM 0 HA GLU A 59 12.876 -6.282 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.390 -6.513 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.255 -4.765 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.219 -5.571 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.694 -4.660 -0.244 1.00 0.00 H new ATOM 491 N GLN A 60 12.347 -3.105 2.812 1.00 0.00 N ATOM 492 CA GLN A 60 12.896 -1.752 2.704 1.00 0.00 C ATOM 493 C GLN A 60 14.373 -1.718 3.098 1.00 0.00 C ATOM 494 O GLN A 60 15.119 -0.849 2.646 1.00 0.00 O ATOM 495 CB GLN A 60 12.102 -0.785 3.586 1.00 0.00 C ATOM 496 CG GLN A 60 10.644 -0.648 3.183 1.00 0.00 C ATOM 497 CD GLN A 60 9.856 0.234 4.133 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.292 -0.245 5.116 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.809 1.530 3.843 1.00 0.00 N ATOM 0 H GLN A 60 11.549 -3.182 3.442 1.00 0.00 H new ATOM 0 HA GLN A 60 12.813 -1.442 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.153 -1.125 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.574 0.197 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.587 -0.234 2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.186 -1.637 3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.291 1.886 3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.291 2.169 4.446 1.00 0.00 H new ATOM 508 N GLN A 61 14.785 -2.656 3.952 1.00 0.00 N ATOM 509 CA GLN A 61 16.177 -2.739 4.396 1.00 0.00 C ATOM 510 C GLN A 61 17.037 -3.499 3.382 1.00 0.00 C ATOM 511 O GLN A 61 18.226 -3.213 3.234 1.00 0.00 O ATOM 512 CB GLN A 61 16.259 -3.415 5.768 1.00 0.00 C ATOM 513 CG GLN A 61 15.528 -2.657 6.866 1.00 0.00 C ATOM 514 CD GLN A 61 15.434 -3.450 8.157 1.00 0.00 C ATOM 515 OE1 GLN A 61 14.475 -4.193 8.372 1.00 0.00 O ATOM 516 NE2 GLN A 61 16.429 -3.297 9.025 1.00 0.00 N ATOM 0 H GLN A 61 14.174 -3.369 4.350 1.00 0.00 H new ATOM 0 HA GLN A 61 16.564 -1.723 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.844 -4.420 5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.307 -3.523 6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.043 -1.716 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.524 -2.406 6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.204 -2.671 8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.417 -3.805 9.909 1.00 0.00 H new ATOM 525 N ARG A 62 16.430 -4.464 2.686 1.00 0.00 N ATOM 526 CA ARG A 62 17.138 -5.260 1.680 1.00 0.00 C ATOM 527 C ARG A 62 17.439 -4.431 0.431 1.00 0.00 C ATOM 528 O ARG A 62 18.537 -4.499 -0.122 1.00 0.00 O ATOM 529 CB ARG A 62 16.302 -6.480 1.284 1.00 0.00 C ATOM 530 CG ARG A 62 16.012 -7.431 2.432 1.00 0.00 C ATOM 531 CD ARG A 62 14.878 -8.383 2.087 1.00 0.00 C ATOM 532 NE ARG A 62 14.515 -9.240 3.216 1.00 0.00 N ATOM 533 CZ ARG A 62 13.340 -9.866 3.334 1.00 0.00 C ATOM 534 NH1 ARG A 62 12.399 -9.722 2.403 1.00 0.00 N ATOM 535 NH2 ARG A 62 13.103 -10.636 4.390 1.00 0.00 N ATOM 0 H ARG A 62 15.448 -4.713 2.801 1.00 0.00 H new ATOM 0 HA ARG A 62 18.080 -5.587 2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.357 -6.138 0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.824 -7.025 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.910 -8.002 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.752 -6.860 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.006 -7.809 1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.172 -9.004 1.241 1.00 0.00 H new ATOM 0 HE ARG A 62 15.202 -9.368 3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.572 -9.130 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.506 -10.204 2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.817 -10.749 5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.207 -11.114 4.482 1.00 0.00 H new ATOM 549 N LEU A 63 16.449 -3.650 -0.004 1.00 0.00 N ATOM 550 CA LEU A 63 16.573 -2.811 -1.195 1.00 0.00 C ATOM 551 C LEU A 63 16.999 -1.380 -0.853 1.00 0.00 C ATOM 552 O LEU A 63 17.595 -0.695 -1.686 1.00 0.00 O ATOM 553 CB LEU A 63 15.233 -2.776 -1.935 1.00 0.00 C ATOM 554 CG LEU A 63 14.617 -4.148 -2.229 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.210 -3.994 -2.785 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.491 -4.930 -3.199 1.00 0.00 C ATOM 0 H LEU A 63 15.542 -3.582 0.458 1.00 0.00 H new ATOM 0 HA LEU A 63 17.348 -3.247 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.524 -2.196 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.370 -2.247 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 63 14.558 -4.705 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.789 -4.979 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.586 -3.475 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.245 -3.417 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.037 -5.901 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.583 -4.376 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.480 -5.073 -2.764 1.00 0.00 H new ATOM 568 N GLY A 64 16.694 -0.933 0.366 1.00 0.00 N ATOM 569 CA GLY A 64 17.039 0.422 0.773 1.00 0.00 C ATOM 570 C GLY A 64 15.886 1.403 0.582 1.00 0.00 C ATOM 571 O GLY A 64 16.035 2.597 0.847 1.00 0.00 O ATOM 0 H GLY A 64 16.215 -1.484 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.338 0.418 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.900 0.762 0.198 1.00 0.00 H new ATOM 575 N ILE A 65 14.737 0.893 0.117 1.00 0.00 N ATOM 576 CA ILE A 65 13.547 1.715 -0.114 1.00 0.00 C ATOM 577 C ILE A 65 13.222 2.585 1.106 1.00 0.00 C ATOM 578 O ILE A 65 13.100 2.078 2.223 1.00 0.00 O ATOM 579 CB ILE A 65 12.315 0.842 -0.451 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.604 -0.055 -1.661 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.099 1.719 -0.719 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.553 -1.117 -1.896 1.00 0.00 C ATOM 0 H ILE A 65 14.609 -0.094 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 65 13.773 2.360 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 65 12.101 0.204 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.685 0.567 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.571 -0.538 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.241 1.089 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.879 2.316 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.306 2.380 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.825 -1.712 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.488 -1.764 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.587 -0.641 -2.068 1.00 0.00 H new ATOM 594 N PRO A 66 13.083 3.913 0.900 1.00 0.00 N ATOM 595 CA PRO A 66 12.770 4.866 1.979 1.00 0.00 C ATOM 596 C PRO A 66 11.437 4.571 2.667 1.00 0.00 C ATOM 597 O PRO A 66 10.651 3.748 2.196 1.00 0.00 O ATOM 598 CB PRO A 66 12.699 6.222 1.262 1.00 0.00 C ATOM 599 CG PRO A 66 13.437 6.027 -0.016 1.00 0.00 C ATOM 600 CD PRO A 66 13.228 4.591 -0.400 1.00 0.00 C ATOM 0 HA PRO A 66 13.517 4.820 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.666 6.517 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.154 7.010 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.061 6.696 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.497 6.247 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.341 4.465 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.072 4.199 -0.967 1.00 0.00 H new ATOM 608 N LYS A 67 11.188 5.263 3.780 1.00 0.00 N ATOM 609 CA LYS A 67 9.955 5.085 4.545 1.00 0.00 C ATOM 610 C LYS A 67 8.957 6.213 4.247 1.00 0.00 C ATOM 611 O LYS A 67 8.258 6.691 5.144 1.00 0.00 O ATOM 612 CB LYS A 67 10.282 5.041 6.043 1.00 0.00 C ATOM 613 CG LYS A 67 9.211 4.378 6.895 1.00 0.00 C ATOM 614 CD LYS A 67 9.635 4.306 8.355 1.00 0.00 C ATOM 615 CE LYS A 67 8.663 3.479 9.182 1.00 0.00 C ATOM 616 NZ LYS A 67 9.067 3.406 10.613 1.00 0.00 N ATOM 0 H LYS A 67 11.827 5.954 4.172 1.00 0.00 H new ATOM 0 HA LYS A 67 9.492 4.143 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.223 4.509 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.436 6.059 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.279 4.937 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.015 3.373 6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.632 3.872 8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.697 5.314 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.666 3.912 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.604 2.471 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.377 2.833 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.008 2.969 10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.099 4.365 11.014 1.00 0.00 H new ATOM 630 N ASP A 68 8.891 6.626 2.978 1.00 0.00 N ATOM 631 CA ASP A 68 7.985 7.697 2.565 1.00 0.00 C ATOM 632 C ASP A 68 7.803 7.717 1.046 1.00 0.00 C ATOM 633 O ASP A 68 8.774 7.848 0.298 1.00 0.00 O ATOM 634 CB ASP A 68 8.508 9.052 3.048 1.00 0.00 C ATOM 635 CG ASP A 68 7.564 10.191 2.711 1.00 0.00 C ATOM 636 OD1 ASP A 68 6.435 10.207 3.244 1.00 0.00 O ATOM 637 OD2 ASP A 68 7.957 11.068 1.917 1.00 0.00 O ATOM 0 H ASP A 68 9.453 6.235 2.222 1.00 0.00 H new ATOM 0 HA ASP A 68 7.013 7.506 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.659 9.016 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.481 9.245 2.596 1.00 0.00 H new ATOM 642 N PRO A 69 6.543 7.594 0.577 1.00 0.00 N ATOM 643 CA PRO A 69 6.212 7.600 -0.855 1.00 0.00 C ATOM 644 C PRO A 69 6.625 8.896 -1.547 1.00 0.00 C ATOM 645 O PRO A 69 7.181 8.862 -2.639 1.00 0.00 O ATOM 646 CB PRO A 69 4.688 7.440 -0.882 1.00 0.00 C ATOM 647 CG PRO A 69 4.337 6.870 0.447 1.00 0.00 C ATOM 648 CD PRO A 69 5.339 7.435 1.410 1.00 0.00 C ATOM 0 HA PRO A 69 6.742 6.812 -1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.193 8.398 -1.044 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.375 6.779 -1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.321 7.143 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.382 5.781 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.007 8.386 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.515 6.763 2.250 1.00 0.00 H new ATOM 656 N ARG A 70 6.345 10.041 -0.918 1.00 0.00 N ATOM 657 CA ARG A 70 6.717 11.335 -1.495 1.00 0.00 C ATOM 658 C ARG A 70 8.210 11.374 -1.836 1.00 0.00 C ATOM 659 O ARG A 70 8.613 11.999 -2.818 1.00 0.00 O ATOM 660 CB ARG A 70 6.369 12.476 -0.535 1.00 0.00 C ATOM 661 CG ARG A 70 4.885 12.580 -0.221 1.00 0.00 C ATOM 662 CD ARG A 70 4.637 12.729 1.272 1.00 0.00 C ATOM 663 NE ARG A 70 3.221 12.943 1.574 1.00 0.00 N ATOM 664 CZ ARG A 70 2.725 13.039 2.809 1.00 0.00 C ATOM 665 NH1 ARG A 70 3.520 12.924 3.869 1.00 0.00 N ATOM 666 NH2 ARG A 70 1.424 13.245 2.987 1.00 0.00 N ATOM 0 H ARG A 70 5.867 10.099 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 70 6.148 11.465 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.919 12.337 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.707 13.418 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.460 13.434 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.372 11.691 -0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.987 11.835 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.220 13.567 1.654 1.00 0.00 H new ATOM 0 HE ARG A 70 2.572 13.024 0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.519 12.761 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.131 12.999 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.806 13.330 2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.044 13.319 3.931 1.00 0.00 H new ATOM 680 N GLN A 71 9.023 10.699 -1.019 1.00 0.00 N ATOM 681 CA GLN A 71 10.467 10.638 -1.240 1.00 0.00 C ATOM 682 C GLN A 71 10.864 9.328 -1.934 1.00 0.00 C ATOM 683 O GLN A 71 11.865 8.703 -1.580 1.00 0.00 O ATOM 684 CB GLN A 71 11.210 10.782 0.092 1.00 0.00 C ATOM 685 CG GLN A 71 10.944 12.103 0.799 1.00 0.00 C ATOM 686 CD GLN A 71 11.521 12.141 2.202 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.665 12.547 2.405 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.729 11.714 3.180 1.00 0.00 N ATOM 0 H GLN A 71 8.703 10.187 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 71 10.748 11.464 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.921 9.963 0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.281 10.684 -0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.371 12.917 0.213 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.869 12.275 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.787 11.386 2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.063 11.715 4.144 1.00 0.00 H new ATOM 697 N TRP A 72 10.069 8.926 -2.932 1.00 0.00 N ATOM 698 CA TRP A 72 10.329 7.702 -3.693 1.00 0.00 C ATOM 699 C TRP A 72 10.508 8.018 -5.175 1.00 0.00 C ATOM 700 O TRP A 72 10.353 9.167 -5.598 1.00 0.00 O ATOM 701 CB TRP A 72 9.163 6.722 -3.544 1.00 0.00 C ATOM 702 CG TRP A 72 9.250 5.819 -2.354 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.174 5.849 -1.351 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.366 4.737 -2.056 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.913 4.850 -0.444 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.808 4.154 -0.856 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.240 4.206 -2.690 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.163 3.066 -0.278 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.602 3.126 -2.116 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.064 2.567 -0.921 1.00 0.00 C ATOM 0 H TRP A 72 9.237 9.434 -3.231 1.00 0.00 H new ATOM 0 HA TRP A 72 11.242 7.255 -3.300 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.235 7.290 -3.484 1.00 0.00 H new ATOM 0 HB3 TRP A 72 9.104 6.109 -4.444 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.990 6.553 -1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.454 4.658 0.399 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.876 4.633 -3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.517 2.631 0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.732 2.706 -2.598 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.542 1.723 -0.496 1.00 0.00 H new ATOM 721 N THR A 73 10.834 6.993 -5.963 1.00 0.00 N ATOM 722 CA THR A 73 10.992 7.154 -7.404 1.00 0.00 C ATOM 723 C THR A 73 10.339 5.983 -8.136 1.00 0.00 C ATOM 724 O THR A 73 9.725 5.122 -7.504 1.00 0.00 O ATOM 725 CB THR A 73 12.476 7.262 -7.815 1.00 0.00 C ATOM 726 OG1 THR A 73 13.154 6.028 -7.542 1.00 0.00 O ATOM 727 CG2 THR A 73 13.164 8.394 -7.071 1.00 0.00 C ATOM 0 H THR A 73 10.993 6.044 -5.625 1.00 0.00 H new ATOM 0 HA THR A 73 10.501 8.086 -7.684 1.00 0.00 H new ATOM 0 HB THR A 73 12.516 7.471 -8.884 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.094 6.106 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.208 8.449 -7.378 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.667 9.336 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.111 8.210 -5.998 1.00 0.00 H new ATOM 735 N GLU A 74 10.470 5.945 -9.462 1.00 0.00 N ATOM 736 CA GLU A 74 9.880 4.865 -10.258 1.00 0.00 C ATOM 737 C GLU A 74 10.281 3.493 -9.712 1.00 0.00 C ATOM 738 O GLU A 74 9.474 2.561 -9.704 1.00 0.00 O ATOM 739 CB GLU A 74 10.302 4.987 -11.725 1.00 0.00 C ATOM 740 CG GLU A 74 9.887 6.299 -12.371 1.00 0.00 C ATOM 741 CD GLU A 74 10.237 6.366 -13.844 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.412 6.647 -14.165 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.336 6.140 -14.679 1.00 0.00 O ATOM 0 H GLU A 74 10.976 6.644 -10.006 1.00 0.00 H new ATOM 0 HA GLU A 74 8.796 4.957 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.385 4.885 -11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.869 4.161 -12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.812 6.433 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.371 7.125 -11.849 1.00 0.00 H new ATOM 750 N THR A 75 11.530 3.379 -9.254 1.00 0.00 N ATOM 751 CA THR A 75 12.041 2.125 -8.707 1.00 0.00 C ATOM 752 C THR A 75 11.351 1.764 -7.389 1.00 0.00 C ATOM 753 O THR A 75 10.783 0.681 -7.263 1.00 0.00 O ATOM 754 CB THR A 75 13.567 2.193 -8.483 1.00 0.00 C ATOM 755 OG1 THR A 75 14.230 2.537 -9.707 1.00 0.00 O ATOM 756 CG2 THR A 75 14.105 0.865 -7.969 1.00 0.00 C ATOM 0 H THR A 75 12.206 4.143 -9.252 1.00 0.00 H new ATOM 0 HA THR A 75 11.823 1.350 -9.441 1.00 0.00 H new ATOM 0 HB THR A 75 13.763 2.960 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.197 2.579 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.182 0.942 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.624 0.620 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.894 0.081 -8.696 1.00 0.00 H new ATOM 764 N HIS A 76 11.403 2.677 -6.414 1.00 0.00 N ATOM 765 CA HIS A 76 10.787 2.443 -5.103 1.00 0.00 C ATOM 766 C HIS A 76 9.283 2.201 -5.233 1.00 0.00 C ATOM 767 O HIS A 76 8.732 1.313 -4.581 1.00 0.00 O ATOM 768 CB HIS A 76 11.039 3.624 -4.160 1.00 0.00 C ATOM 769 CG HIS A 76 12.492 3.900 -3.914 1.00 0.00 C ATOM 770 ND1 HIS A 76 13.044 5.163 -3.997 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.509 3.069 -3.584 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.336 5.094 -3.731 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.642 3.836 -3.476 1.00 0.00 N ATOM 0 H HIS A 76 11.864 3.582 -6.507 1.00 0.00 H new ATOM 0 HA HIS A 76 11.249 1.550 -4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.575 4.517 -4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.549 3.427 -3.206 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.441 2.002 -3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.025 5.926 -3.723 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.571 3.489 -3.237 1.00 0.00 H new ATOM 782 N VAL A 77 8.630 3.001 -6.076 1.00 0.00 N ATOM 783 CA VAL A 77 7.193 2.880 -6.313 1.00 0.00 C ATOM 784 C VAL A 77 6.835 1.485 -6.825 1.00 0.00 C ATOM 785 O VAL A 77 5.910 0.847 -6.323 1.00 0.00 O ATOM 786 CB VAL A 77 6.712 3.937 -7.335 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.293 3.639 -7.807 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.788 5.328 -6.723 1.00 0.00 C ATOM 0 H VAL A 77 9.079 3.745 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 77 6.692 3.048 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 77 7.369 3.896 -8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.981 4.398 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.266 2.658 -8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.616 3.647 -6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.447 6.065 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.153 5.371 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.818 5.546 -6.441 1.00 0.00 H new ATOM 798 N ARG A 78 7.593 1.019 -7.820 1.00 0.00 N ATOM 799 CA ARG A 78 7.368 -0.291 -8.423 1.00 0.00 C ATOM 800 C ARG A 78 7.814 -1.409 -7.486 1.00 0.00 C ATOM 801 O ARG A 78 7.121 -2.418 -7.353 1.00 0.00 O ATOM 802 CB ARG A 78 8.098 -0.384 -9.769 1.00 0.00 C ATOM 803 CG ARG A 78 8.113 -1.781 -10.379 1.00 0.00 C ATOM 804 CD ARG A 78 9.311 -2.593 -9.901 1.00 0.00 C ATOM 805 NE ARG A 78 10.585 -1.962 -10.251 1.00 0.00 N ATOM 806 CZ ARG A 78 11.779 -2.440 -9.892 1.00 0.00 C ATOM 807 NH1 ARG A 78 11.872 -3.558 -9.175 1.00 0.00 N ATOM 808 NH2 ARG A 78 12.884 -1.794 -10.250 1.00 0.00 N ATOM 0 H ARG A 78 8.373 1.536 -8.226 1.00 0.00 H new ATOM 0 HA ARG A 78 6.299 -0.412 -8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.627 0.302 -10.473 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.126 -0.047 -9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.192 -2.302 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.137 -1.703 -11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.255 -2.717 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.269 -3.590 -10.339 1.00 0.00 H new ATOM 0 HE ARG A 78 10.559 -1.105 -10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.027 -4.056 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.788 -3.916 -8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.818 -0.936 -10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.798 -2.156 -9.977 1.00 0.00 H new ATOM 822 N ASP A 79 8.968 -1.235 -6.840 1.00 0.00 N ATOM 823 CA ASP A 79 9.476 -2.243 -5.913 1.00 0.00 C ATOM 824 C ASP A 79 8.470 -2.498 -4.791 1.00 0.00 C ATOM 825 O ASP A 79 8.313 -3.634 -4.337 1.00 0.00 O ATOM 826 CB ASP A 79 10.827 -1.822 -5.331 1.00 0.00 C ATOM 827 CG ASP A 79 11.996 -2.329 -6.153 1.00 0.00 C ATOM 828 OD1 ASP A 79 12.358 -3.515 -6.004 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.549 -1.541 -6.947 1.00 0.00 O ATOM 0 H ASP A 79 9.563 -0.413 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 79 9.619 -3.169 -6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.872 -0.734 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.913 -2.198 -4.312 1.00 0.00 H new ATOM 834 N TRP A 80 7.792 -1.433 -4.347 1.00 0.00 N ATOM 835 CA TRP A 80 6.791 -1.562 -3.294 1.00 0.00 C ATOM 836 C TRP A 80 5.558 -2.270 -3.856 1.00 0.00 C ATOM 837 O TRP A 80 5.185 -3.341 -3.381 1.00 0.00 O ATOM 838 CB TRP A 80 6.426 -0.194 -2.704 1.00 0.00 C ATOM 839 CG TRP A 80 5.109 -0.180 -1.988 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.822 -0.741 -0.777 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.895 0.421 -2.449 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.504 -0.526 -0.457 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.913 0.185 -1.469 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.544 1.136 -3.597 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.605 0.640 -1.603 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.247 1.587 -3.729 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.291 1.337 -2.737 1.00 0.00 C ATOM 0 H TRP A 80 7.920 -0.484 -4.699 1.00 0.00 H new ATOM 0 HA TRP A 80 7.204 -2.159 -2.481 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.209 0.114 -2.012 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.401 0.543 -3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.529 -1.276 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.041 -0.843 0.394 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.275 1.332 -4.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.865 0.450 -0.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.964 2.142 -4.612 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.284 1.703 -2.870 1.00 0.00 H new ATOM 858 N VAL A 81 4.917 -1.642 -4.851 1.00 0.00 N ATOM 859 CA VAL A 81 3.750 -2.229 -5.519 1.00 0.00 C ATOM 860 C VAL A 81 3.964 -3.724 -5.763 1.00 0.00 C ATOM 861 O VAL A 81 3.125 -4.544 -5.394 1.00 0.00 O ATOM 862 CB VAL A 81 3.457 -1.527 -6.867 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.394 -2.277 -7.656 1.00 0.00 C ATOM 864 CG2 VAL A 81 3.026 -0.088 -6.636 1.00 0.00 C ATOM 0 H VAL A 81 5.188 -0.727 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 81 2.894 -2.087 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 81 4.377 -1.527 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.209 -1.761 -8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.739 -3.291 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.472 -2.317 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.824 0.390 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.123 -0.072 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.821 0.452 -6.122 1.00 0.00 H new ATOM 874 N MET A 82 5.099 -4.065 -6.381 1.00 0.00 N ATOM 875 CA MET A 82 5.443 -5.460 -6.667 1.00 0.00 C ATOM 876 C MET A 82 5.386 -6.302 -5.394 1.00 0.00 C ATOM 877 O MET A 82 4.781 -7.375 -5.373 1.00 0.00 O ATOM 878 CB MET A 82 6.845 -5.544 -7.279 1.00 0.00 C ATOM 879 CG MET A 82 7.248 -6.948 -7.701 1.00 0.00 C ATOM 880 SD MET A 82 6.278 -7.564 -9.091 1.00 0.00 S ATOM 881 CE MET A 82 6.794 -6.441 -10.388 1.00 0.00 C ATOM 0 H MET A 82 5.797 -3.390 -6.694 1.00 0.00 H new ATOM 0 HA MET A 82 4.716 -5.851 -7.379 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.892 -4.886 -8.147 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.570 -5.170 -6.556 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.304 -6.953 -7.970 1.00 0.00 H new ATOM 0 HG3 MET A 82 7.132 -7.625 -6.854 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.102 -6.512 -11.227 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.797 -5.420 -10.006 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.797 -6.706 -10.721 1.00 0.00 H new ATOM 891 N TRP A 83 6.030 -5.803 -4.336 1.00 0.00 N ATOM 892 CA TRP A 83 6.055 -6.485 -3.043 1.00 0.00 C ATOM 893 C TRP A 83 4.633 -6.725 -2.517 1.00 0.00 C ATOM 894 O TRP A 83 4.350 -7.773 -1.940 1.00 0.00 O ATOM 895 CB TRP A 83 6.869 -5.660 -2.036 1.00 0.00 C ATOM 896 CG TRP A 83 6.727 -6.120 -0.618 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.538 -6.992 0.047 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.709 -5.730 0.311 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.083 -7.174 1.330 1.00 0.00 N ATOM 900 CE2 TRP A 83 5.961 -6.408 1.516 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.607 -4.873 0.238 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.151 -6.256 2.640 1.00 0.00 C ATOM 903 CZ3 TRP A 83 3.805 -4.722 1.353 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.081 -5.411 2.540 1.00 0.00 C ATOM 0 H TRP A 83 6.544 -4.922 -4.352 1.00 0.00 H new ATOM 0 HA TRP A 83 6.529 -7.458 -3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.922 -5.699 -2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.560 -4.617 -2.102 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.410 -7.470 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.510 -7.780 2.030 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.386 -4.338 -0.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.361 -6.787 3.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 2.951 -4.062 1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.435 -5.272 3.394 1.00 0.00 H new ATOM 915 N ALA A 84 3.743 -5.752 -2.729 1.00 0.00 N ATOM 916 CA ALA A 84 2.357 -5.867 -2.273 1.00 0.00 C ATOM 917 C ALA A 84 1.543 -6.802 -3.177 1.00 0.00 C ATOM 918 O ALA A 84 0.490 -7.294 -2.779 1.00 0.00 O ATOM 919 CB ALA A 84 1.705 -4.493 -2.201 1.00 0.00 C ATOM 0 H ALA A 84 3.957 -4.879 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 84 2.371 -6.302 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.675 -4.597 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.257 -3.865 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.716 -4.033 -3.189 1.00 0.00 H new ATOM 925 N VAL A 85 2.043 -7.045 -4.390 1.00 0.00 N ATOM 926 CA VAL A 85 1.367 -7.919 -5.345 1.00 0.00 C ATOM 927 C VAL A 85 1.751 -9.385 -5.119 1.00 0.00 C ATOM 928 O VAL A 85 0.953 -10.288 -5.375 1.00 0.00 O ATOM 929 CB VAL A 85 1.700 -7.517 -6.799 1.00 0.00 C ATOM 930 CG1 VAL A 85 1.147 -8.531 -7.790 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.156 -6.129 -7.101 1.00 0.00 C ATOM 0 H VAL A 85 2.917 -6.646 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 85 0.295 -7.806 -5.184 1.00 0.00 H new ATOM 0 HB VAL A 85 2.785 -7.501 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.397 -8.222 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.584 -9.510 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.064 -8.589 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.398 -5.859 -8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.074 -6.126 -6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.606 -5.406 -6.420 1.00 0.00 H new ATOM 941 N ASN A 86 2.974 -9.614 -4.636 1.00 0.00 N ATOM 942 CA ASN A 86 3.463 -10.969 -4.378 1.00 0.00 C ATOM 943 C ASN A 86 3.064 -11.441 -2.980 1.00 0.00 C ATOM 944 O ASN A 86 2.696 -12.602 -2.792 1.00 0.00 O ATOM 945 CB ASN A 86 4.989 -11.023 -4.532 1.00 0.00 C ATOM 946 CG ASN A 86 5.446 -10.753 -5.957 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.810 -10.003 -6.698 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.559 -11.367 -6.350 1.00 0.00 N ATOM 0 H ASN A 86 3.644 -8.877 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 86 3.006 -11.636 -5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.443 -10.291 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.347 -12.004 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.914 -11.224 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.057 -11.981 -5.706 1.00 0.00 H new ATOM 955 N GLU A 87 3.135 -10.533 -2.005 1.00 0.00 N ATOM 956 CA GLU A 87 2.781 -10.854 -0.622 1.00 0.00 C ATOM 957 C GLU A 87 1.266 -10.962 -0.441 1.00 0.00 C ATOM 958 O GLU A 87 0.791 -11.781 0.346 1.00 0.00 O ATOM 959 CB GLU A 87 3.358 -9.803 0.332 1.00 0.00 C ATOM 960 CG GLU A 87 4.806 -10.062 0.729 1.00 0.00 C ATOM 961 CD GLU A 87 5.694 -10.434 -0.449 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.776 -11.636 -0.776 1.00 0.00 O ATOM 963 OE2 GLU A 87 6.309 -9.524 -1.042 1.00 0.00 O ATOM 0 H GLU A 87 3.435 -9.569 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 87 3.214 -11.826 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.290 -8.822 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.745 -9.768 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.208 -9.171 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.836 -10.865 1.466 1.00 0.00 H new ATOM 970 N PHE A 88 0.512 -10.135 -1.170 1.00 0.00 N ATOM 971 CA PHE A 88 -0.948 -10.162 -1.086 1.00 0.00 C ATOM 972 C PHE A 88 -1.564 -10.924 -2.267 1.00 0.00 C ATOM 973 O PHE A 88 -2.789 -10.989 -2.396 1.00 0.00 O ATOM 974 CB PHE A 88 -1.512 -8.738 -1.038 1.00 0.00 C ATOM 975 CG PHE A 88 -1.085 -7.956 0.175 1.00 0.00 C ATOM 976 CD1 PHE A 88 0.194 -7.425 0.263 1.00 0.00 C ATOM 977 CD2 PHE A 88 -1.965 -7.749 1.224 1.00 0.00 C ATOM 978 CE1 PHE A 88 0.585 -6.704 1.374 1.00 0.00 C ATOM 979 CE2 PHE A 88 -1.579 -7.028 2.338 1.00 0.00 C ATOM 980 CZ PHE A 88 -0.303 -6.505 2.413 1.00 0.00 C ATOM 0 H PHE A 88 0.886 -9.444 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.212 -10.684 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.197 -8.202 -1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.601 -8.787 -1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.892 -7.577 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.964 -8.156 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.584 -6.296 1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.275 -6.874 3.149 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.000 -5.941 3.283 1.00 0.00 H new ATOM 990 N SER A 89 -0.706 -11.509 -3.122 1.00 0.00 N ATOM 991 CA SER A 89 -1.152 -12.263 -4.295 1.00 0.00 C ATOM 992 C SER A 89 -2.226 -11.503 -5.075 1.00 0.00 C ATOM 993 O SER A 89 -3.322 -12.020 -5.310 1.00 0.00 O ATOM 994 CB SER A 89 -1.670 -13.645 -3.878 1.00 0.00 C ATOM 995 OG SER A 89 -0.659 -14.393 -3.223 1.00 0.00 O ATOM 0 H SER A 89 0.308 -11.470 -3.016 1.00 0.00 H new ATOM 0 HA SER A 89 -0.293 -12.392 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.528 -13.530 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.016 -14.188 -4.758 1.00 0.00 H new ATOM 0 HG SER A 89 -1.015 -15.269 -2.966 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.903 -10.274 -5.481 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.842 -9.449 -6.233 1.00 0.00 C ATOM 1003 C LEU A 90 -2.743 -9.749 -7.728 1.00 0.00 C ATOM 1004 O LEU A 90 -1.800 -10.407 -8.174 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.578 -7.962 -5.967 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.621 -7.544 -4.493 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.382 -6.049 -4.352 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.951 -7.934 -3.864 1.00 0.00 C ATOM 0 H LEU A 90 -1.002 -9.832 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.852 -9.687 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.599 -7.705 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.314 -7.375 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.825 -8.069 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.417 -5.773 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.404 -5.797 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.154 -5.504 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.962 -7.629 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.764 -7.439 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.081 -9.014 -3.928 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.714 -9.264 -8.500 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.724 -9.497 -9.944 1.00 0.00 C ATOM 1022 C LYS A 91 -4.411 -8.356 -10.697 1.00 0.00 C ATOM 1023 O LYS A 91 -5.247 -7.641 -10.140 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.410 -10.830 -10.273 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.886 -10.888 -9.897 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.082 -11.112 -8.405 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.546 -11.344 -8.066 1.00 0.00 C ATOM 1028 NZ LYS A 91 -7.758 -11.513 -6.601 1.00 0.00 N ATOM 0 H LYS A 91 -4.498 -8.711 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.685 -9.540 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.312 -11.021 -11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.884 -11.633 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.373 -9.958 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.371 -11.691 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.492 -11.971 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.712 -10.247 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.139 -10.502 -8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.903 -12.231 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.769 -11.669 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.212 -12.332 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.441 -10.657 -6.103 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.037 -8.192 -11.968 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.618 -7.149 -12.799 1.00 0.00 C ATOM 1044 C GLY A 92 -3.955 -5.788 -12.626 1.00 0.00 C ATOM 1045 O GLY A 92 -4.246 -4.861 -13.385 1.00 0.00 O ATOM 0 H GLY A 92 -3.338 -8.768 -12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.546 -7.448 -13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.679 -7.059 -12.565 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.060 -5.660 -11.640 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.376 -4.395 -11.388 1.00 0.00 C ATOM 1051 C VAL A 93 -1.301 -4.135 -12.439 1.00 0.00 C ATOM 1052 O VAL A 93 -0.480 -5.007 -12.735 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.748 -4.357 -9.975 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.646 -5.396 -9.832 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.223 -2.965 -9.654 1.00 0.00 C ATOM 0 H VAL A 93 -2.796 -6.416 -11.008 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.128 -3.608 -11.449 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.531 -4.601 -9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.225 -5.344 -8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.059 -6.390 -10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.137 -5.199 -10.565 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.786 -2.962 -8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.463 -2.686 -10.384 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.044 -2.249 -9.693 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.322 -2.933 -13.006 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.362 -2.549 -14.032 1.00 0.00 C ATOM 1067 C ASP A 94 0.737 -1.661 -13.459 1.00 0.00 C ATOM 1068 O ASP A 94 0.459 -0.677 -12.769 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.077 -1.822 -15.173 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.046 -2.719 -15.917 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -3.226 -2.788 -15.510 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -1.628 -3.353 -16.908 1.00 0.00 O ATOM 0 H ASP A 94 -1.997 -2.206 -12.770 1.00 0.00 H new ATOM 0 HA ASP A 94 0.102 -3.458 -14.415 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.617 -0.964 -14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.337 -1.434 -15.872 1.00 0.00 H new ATOM 1077 N PHE A 95 1.986 -2.015 -13.756 1.00 0.00 N ATOM 1078 CA PHE A 95 3.136 -1.244 -13.290 1.00 0.00 C ATOM 1079 C PHE A 95 3.424 -0.085 -14.245 1.00 0.00 C ATOM 1080 O PHE A 95 4.077 0.890 -13.866 1.00 0.00 O ATOM 1081 CB PHE A 95 4.364 -2.143 -13.127 1.00 0.00 C ATOM 1082 CG PHE A 95 4.213 -3.157 -12.026 1.00 0.00 C ATOM 1083 CD1 PHE A 95 3.602 -4.378 -12.267 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.676 -2.886 -10.748 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.456 -5.308 -11.257 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.534 -3.814 -9.734 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.924 -5.026 -9.988 1.00 0.00 C ATOM 0 H PHE A 95 2.227 -2.832 -14.318 1.00 0.00 H new ATOM 0 HA PHE A 95 2.898 -0.827 -12.312 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.554 -2.662 -14.067 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.237 -1.522 -12.924 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.236 -4.605 -13.257 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.153 -1.939 -10.542 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.977 -6.255 -11.459 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.900 -3.591 -8.743 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.813 -5.752 -9.196 1.00 0.00 H new ATOM 1097 N GLN A 96 2.935 -0.196 -15.487 1.00 0.00 N ATOM 1098 CA GLN A 96 3.095 0.866 -16.478 1.00 0.00 C ATOM 1099 C GLN A 96 2.318 2.103 -16.021 1.00 0.00 C ATOM 1100 O GLN A 96 2.728 3.237 -16.272 1.00 0.00 O ATOM 1101 CB GLN A 96 2.590 0.412 -17.853 1.00 0.00 C ATOM 1102 CG GLN A 96 3.470 -0.641 -18.517 1.00 0.00 C ATOM 1103 CD GLN A 96 3.339 -2.016 -17.881 1.00 0.00 C ATOM 1104 OE1 GLN A 96 2.275 -2.384 -17.379 1.00 0.00 O ATOM 1105 NE2 GLN A 96 4.423 -2.784 -17.898 1.00 0.00 N ATOM 0 H GLN A 96 2.426 -1.012 -15.826 1.00 0.00 H new ATOM 0 HA GLN A 96 4.154 1.106 -16.568 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.581 0.013 -17.745 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.521 1.280 -18.509 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.210 -0.710 -19.573 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.511 -0.321 -18.465 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.284 -2.441 -18.324 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.394 -3.716 -17.485 1.00 0.00 H new ATOM 1114 N LYS A 97 1.191 1.858 -15.344 1.00 0.00 N ATOM 1115 CA LYS A 97 0.346 2.920 -14.806 1.00 0.00 C ATOM 1116 C LYS A 97 1.072 3.677 -13.694 1.00 0.00 C ATOM 1117 O LYS A 97 0.914 4.891 -13.555 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.954 2.324 -14.257 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.784 1.590 -15.300 1.00 0.00 C ATOM 1120 CD LYS A 97 -2.200 2.513 -16.436 1.00 0.00 C ATOM 1121 CE LYS A 97 -3.192 1.839 -17.373 1.00 0.00 C ATOM 1122 NZ LYS A 97 -4.488 1.543 -16.699 1.00 0.00 N ATOM 0 H LYS A 97 0.843 0.918 -15.156 1.00 0.00 H new ATOM 0 HA LYS A 97 0.116 3.618 -15.611 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.713 1.635 -13.448 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.555 3.124 -13.826 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.210 0.755 -15.701 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.672 1.169 -14.829 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.645 3.419 -16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.318 2.819 -16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.371 2.482 -18.235 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.761 0.912 -17.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.218 1.358 -17.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.380 0.706 -16.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.771 2.358 -16.118 1.00 0.00 H new ATOM 1136 N PHE A 98 1.870 2.949 -12.906 1.00 0.00 N ATOM 1137 CA PHE A 98 2.628 3.546 -11.808 1.00 0.00 C ATOM 1138 C PHE A 98 4.089 3.786 -12.205 1.00 0.00 C ATOM 1139 O PHE A 98 4.983 3.756 -11.355 1.00 0.00 O ATOM 1140 CB PHE A 98 2.570 2.645 -10.567 1.00 0.00 C ATOM 1141 CG PHE A 98 1.179 2.417 -10.044 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.325 3.484 -9.815 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.727 1.133 -9.780 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.951 3.276 -9.332 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.549 0.919 -9.297 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.389 1.993 -9.073 1.00 0.00 C ATOM 0 H PHE A 98 2.006 1.944 -13.011 1.00 0.00 H new ATOM 0 HA PHE A 98 2.173 4.509 -11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.019 1.682 -10.808 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.176 3.091 -9.778 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.662 4.490 -10.017 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.380 0.291 -9.954 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.606 4.116 -9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.890 -0.086 -9.095 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.387 1.829 -8.696 1.00 0.00 H new ATOM 1156 N CYS A 99 4.328 4.030 -13.499 1.00 0.00 N ATOM 1157 CA CYS A 99 5.678 4.279 -13.995 1.00 0.00 C ATOM 1158 C CYS A 99 6.066 5.742 -13.769 1.00 0.00 C ATOM 1159 O CYS A 99 6.211 6.518 -14.717 1.00 0.00 O ATOM 1160 CB CYS A 99 5.772 3.918 -15.482 1.00 0.00 C ATOM 1161 SG CYS A 99 7.452 3.958 -16.152 1.00 0.00 S ATOM 0 H CYS A 99 3.603 4.059 -14.216 1.00 0.00 H new ATOM 0 HA CYS A 99 6.376 3.650 -13.443 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.358 2.920 -15.629 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.149 4.608 -16.052 1.00 0.00 H new ATOM 0 HG CYS A 99 8.150 4.853 -15.519 1.00 0.00 H new ATOM 1167 N MET A 100 6.225 6.107 -12.497 1.00 0.00 N ATOM 1168 CA MET A 100 6.585 7.471 -12.118 1.00 0.00 C ATOM 1169 C MET A 100 7.156 7.505 -10.700 1.00 0.00 C ATOM 1170 O MET A 100 7.126 6.501 -9.983 1.00 0.00 O ATOM 1171 CB MET A 100 5.360 8.389 -12.215 1.00 0.00 C ATOM 1172 CG MET A 100 4.337 8.159 -11.111 1.00 0.00 C ATOM 1173 SD MET A 100 2.749 8.941 -11.455 1.00 0.00 S ATOM 1174 CE MET A 100 2.062 7.799 -12.652 1.00 0.00 C ATOM 0 H MET A 100 6.109 5.471 -11.708 1.00 0.00 H new ATOM 0 HA MET A 100 7.350 7.828 -12.807 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.691 9.427 -12.182 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.879 8.238 -13.182 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.188 7.088 -10.978 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.731 8.545 -10.171 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.661 8.357 -13.498 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.843 7.123 -13.000 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.263 7.221 -12.187 1.00 0.00 H new ATOM 1184 N SER A 101 7.670 8.666 -10.299 1.00 0.00 N ATOM 1185 CA SER A 101 8.244 8.829 -8.966 1.00 0.00 C ATOM 1186 C SER A 101 7.153 8.874 -7.897 1.00 0.00 C ATOM 1187 O SER A 101 5.991 9.167 -8.189 1.00 0.00 O ATOM 1188 CB SER A 101 9.101 10.095 -8.900 1.00 0.00 C ATOM 1189 OG SER A 101 8.334 11.251 -9.194 1.00 0.00 O ATOM 0 H SER A 101 7.701 9.506 -10.877 1.00 0.00 H new ATOM 0 HA SER A 101 8.878 7.965 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.539 10.189 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.927 10.015 -9.606 1.00 0.00 H new ATOM 0 HG SER A 101 8.906 12.045 -9.143 1.00 0.00 H new ATOM 1195 N GLY A 102 7.542 8.578 -6.656 1.00 0.00 N ATOM 1196 CA GLY A 102 6.602 8.583 -5.548 1.00 0.00 C ATOM 1197 C GLY A 102 5.966 9.943 -5.322 1.00 0.00 C ATOM 1198 O GLY A 102 4.783 10.027 -4.988 1.00 0.00 O ATOM 0 H GLY A 102 8.498 8.334 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.820 7.848 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.117 8.272 -4.639 1.00 0.00 H new ATOM 1202 N ALA A 103 6.752 11.009 -5.499 1.00 0.00 N ATOM 1203 CA ALA A 103 6.251 12.374 -5.332 1.00 0.00 C ATOM 1204 C ALA A 103 5.045 12.621 -6.237 1.00 0.00 C ATOM 1205 O ALA A 103 4.079 13.272 -5.834 1.00 0.00 O ATOM 1206 CB ALA A 103 7.353 13.382 -5.631 1.00 0.00 C ATOM 0 H ALA A 103 7.737 10.952 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 103 5.934 12.499 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.966 14.393 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.187 13.223 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.696 13.252 -6.657 1.00 0.00 H new ATOM 1212 N ALA A 104 5.109 12.087 -7.459 1.00 0.00 N ATOM 1213 CA ALA A 104 4.022 12.232 -8.423 1.00 0.00 C ATOM 1214 C ALA A 104 2.833 11.365 -8.018 1.00 0.00 C ATOM 1215 O ALA A 104 1.684 11.801 -8.082 1.00 0.00 O ATOM 1216 CB ALA A 104 4.495 11.857 -9.818 1.00 0.00 C ATOM 0 H ALA A 104 5.905 11.550 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 104 3.706 13.275 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.672 11.971 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.317 12.510 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.835 10.821 -9.821 1.00 0.00 H new ATOM 1222 N LEU A 105 3.130 10.131 -7.599 1.00 0.00 N ATOM 1223 CA LEU A 105 2.106 9.180 -7.170 1.00 0.00 C ATOM 1224 C LEU A 105 1.236 9.771 -6.056 1.00 0.00 C ATOM 1225 O LEU A 105 0.012 9.632 -6.080 1.00 0.00 O ATOM 1226 CB LEU A 105 2.768 7.884 -6.692 1.00 0.00 C ATOM 1227 CG LEU A 105 1.847 6.665 -6.630 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.433 6.236 -8.031 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.531 5.522 -5.895 1.00 0.00 C ATOM 0 H LEU A 105 4.082 9.767 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 105 1.461 8.963 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.602 7.655 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.187 8.054 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 105 0.947 6.937 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.778 5.367 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.904 7.054 -8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.320 5.979 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.863 4.661 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.447 5.249 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.774 5.836 -4.880 1.00 0.00 H new ATOM 1241 N CYS A 106 1.873 10.428 -5.084 1.00 0.00 N ATOM 1242 CA CYS A 106 1.151 11.049 -3.973 1.00 0.00 C ATOM 1243 C CYS A 106 0.307 12.223 -4.470 1.00 0.00 C ATOM 1244 O CYS A 106 -0.840 12.396 -4.055 1.00 0.00 O ATOM 1245 CB CYS A 106 2.128 11.526 -2.896 1.00 0.00 C ATOM 1246 SG CYS A 106 3.088 10.198 -2.134 1.00 0.00 S ATOM 0 H CYS A 106 2.886 10.543 -5.044 1.00 0.00 H new ATOM 0 HA CYS A 106 0.489 10.300 -3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.814 12.249 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.570 12.049 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 106 3.964 9.752 -2.985 1.00 0.00 H new ATOM 1252 N ALA A 107 0.892 13.028 -5.363 1.00 0.00 N ATOM 1253 CA ALA A 107 0.202 14.183 -5.939 1.00 0.00 C ATOM 1254 C ALA A 107 -1.038 13.762 -6.736 1.00 0.00 C ATOM 1255 O ALA A 107 -1.974 14.546 -6.897 1.00 0.00 O ATOM 1256 CB ALA A 107 1.154 14.970 -6.828 1.00 0.00 C ATOM 0 H ALA A 107 1.845 12.899 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.132 14.816 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.631 15.827 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.001 15.318 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.513 14.329 -7.634 1.00 0.00 H new ATOM 1262 N LEU A 108 -1.037 12.519 -7.231 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.158 11.993 -8.010 1.00 0.00 C ATOM 1264 C LEU A 108 -3.410 11.797 -7.152 1.00 0.00 C ATOM 1265 O LEU A 108 -4.531 11.946 -7.641 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.771 10.661 -8.661 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.804 10.766 -9.844 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.422 9.381 -10.342 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.423 11.585 -10.969 1.00 0.00 C ATOM 0 H LEU A 108 -0.269 11.859 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.389 12.728 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.321 10.022 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.680 10.163 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 108 0.100 11.273 -9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.266 9.473 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.061 8.826 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.318 8.850 -10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.722 11.649 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.342 11.105 -11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.649 12.588 -10.607 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.213 11.471 -5.871 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.338 11.244 -4.979 1.00 0.00 C ATOM 1283 C GLY A 109 -4.928 9.854 -5.137 1.00 0.00 C ATOM 1284 O GLY A 109 -4.513 9.094 -6.015 1.00 0.00 O ATOM 0 H GLY A 109 -2.295 11.361 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.015 11.384 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.110 11.988 -5.175 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.899 9.518 -4.287 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.548 8.208 -4.338 1.00 0.00 C ATOM 1290 C LYS A 110 -7.296 8.007 -5.655 1.00 0.00 C ATOM 1291 O LYS A 110 -7.236 6.930 -6.245 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.514 8.033 -3.163 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.148 6.650 -3.104 1.00 0.00 C ATOM 1294 CD LYS A 110 -8.970 6.461 -1.840 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.245 7.288 -1.870 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.065 7.091 -0.641 1.00 0.00 N ATOM 0 H LYS A 110 -6.253 10.135 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.763 7.455 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.980 8.220 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.302 8.783 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.784 6.504 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.368 5.890 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.222 5.407 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.374 6.743 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.991 8.343 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.833 7.016 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.925 7.672 -0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.329 6.089 -0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.513 7.375 0.194 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.004 9.045 -6.107 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.762 8.984 -7.357 1.00 0.00 C ATOM 1312 C GLU A 111 -7.880 8.544 -8.527 1.00 0.00 C ATOM 1313 O GLU A 111 -8.112 7.489 -9.117 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.392 10.347 -7.657 1.00 0.00 C ATOM 1315 CG GLU A 111 -10.055 10.434 -9.024 1.00 0.00 C ATOM 1316 CD GLU A 111 -11.176 9.425 -9.200 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -12.309 9.716 -8.762 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -10.921 8.345 -9.773 1.00 0.00 O ATOM 0 H GLU A 111 -8.067 9.941 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.550 8.241 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.134 10.570 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.622 11.115 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.451 11.439 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.304 10.274 -9.798 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.870 9.351 -8.856 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.966 9.036 -9.961 1.00 0.00 C ATOM 1327 C CYS A 112 -5.262 7.697 -9.740 1.00 0.00 C ATOM 1328 O CYS A 112 -5.109 6.911 -10.676 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.933 10.148 -10.141 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.628 11.722 -10.699 1.00 0.00 S ATOM 0 H CYS A 112 -6.659 10.225 -8.374 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.566 8.958 -10.868 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.418 10.307 -9.194 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.183 9.819 -10.861 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.676 12.599 -10.819 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.845 7.437 -8.498 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.162 6.191 -8.161 1.00 0.00 C ATOM 1338 C PHE A 113 -5.076 4.985 -8.389 1.00 0.00 C ATOM 1339 O PHE A 113 -4.645 3.966 -8.932 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.691 6.223 -6.705 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.879 5.023 -6.308 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.512 4.996 -6.522 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.485 3.923 -5.723 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.762 3.894 -6.161 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.741 2.818 -5.360 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.377 2.803 -5.579 1.00 0.00 C ATOM 0 H PHE A 113 -4.970 8.074 -7.711 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.296 6.093 -8.815 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.097 7.123 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.561 6.295 -6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.026 5.847 -6.977 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.551 3.930 -5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.304 3.885 -6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.225 1.966 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.793 1.940 -5.296 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.338 5.108 -7.970 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.315 4.032 -8.136 1.00 0.00 C ATOM 1358 C LEU A 114 -7.617 3.802 -9.618 1.00 0.00 C ATOM 1359 O LEU A 114 -8.002 2.703 -10.013 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.603 4.351 -7.373 1.00 0.00 C ATOM 1361 CG LEU A 114 -9.422 3.132 -6.944 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -8.634 2.277 -5.960 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.743 3.570 -6.333 1.00 0.00 C ATOM 0 H LEU A 114 -6.706 5.943 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.887 3.117 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.347 4.928 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.229 4.988 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.633 2.529 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.233 1.415 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.713 1.935 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.392 2.868 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.314 2.691 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.551 4.194 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.313 4.139 -7.067 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.461 4.850 -10.430 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.679 4.748 -11.871 1.00 0.00 C ATOM 1377 C GLU A 115 -6.512 4.016 -12.544 1.00 0.00 C ATOM 1378 O GLU A 115 -6.661 3.465 -13.636 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.847 6.141 -12.486 1.00 0.00 C ATOM 1380 CG GLU A 115 -9.135 6.838 -12.076 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.215 8.265 -12.586 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -8.754 9.178 -11.869 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -9.739 8.469 -13.701 1.00 0.00 O ATOM 0 H GLU A 115 -7.184 5.779 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.592 4.176 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.000 6.762 -12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.821 6.055 -13.572 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.986 6.272 -12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.212 6.840 -10.989 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.349 4.016 -11.880 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.152 3.353 -12.397 1.00 0.00 C ATOM 1392 C LEU A 116 -4.135 1.864 -12.034 1.00 0.00 C ATOM 1393 O LEU A 116 -3.616 1.043 -12.790 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.895 4.027 -11.838 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.705 5.493 -12.232 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.569 6.114 -11.434 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.436 5.619 -13.725 1.00 0.00 C ATOM 0 H LEU A 116 -5.215 4.472 -10.978 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.167 3.442 -13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.922 3.961 -10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.023 3.463 -12.170 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.625 6.031 -12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.447 7.157 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.800 6.060 -10.370 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.645 5.571 -11.633 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.304 6.670 -13.984 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.532 5.066 -13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.279 5.211 -14.282 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.704 1.524 -10.874 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.741 0.134 -10.414 1.00 0.00 C ATOM 1411 C ALA A 117 -6.166 -0.420 -10.386 1.00 0.00 C ATOM 1412 O ALA A 117 -7.131 0.334 -10.272 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.108 0.016 -9.035 1.00 0.00 C ATOM 0 H ALA A 117 -5.144 2.190 -10.239 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.168 -0.460 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.143 -1.023 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.071 0.347 -9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.657 0.639 -8.328 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.306 -1.756 -10.510 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.606 -2.441 -10.487 1.00 0.00 C ATOM 1421 C PRO A 118 -8.548 -1.947 -9.386 1.00 0.00 C ATOM 1422 O PRO A 118 -8.132 -1.293 -8.426 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.229 -3.897 -10.224 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.860 -4.054 -10.786 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.196 -2.701 -10.726 1.00 0.00 C ATOM 0 HA PRO A 118 -8.152 -2.267 -11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.245 -4.121 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.932 -4.578 -10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.291 -4.787 -10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.905 -4.415 -11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.469 -2.651 -9.916 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.660 -2.480 -11.649 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.823 -2.298 -9.541 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.877 -1.921 -8.596 1.00 0.00 C ATOM 1435 C ASP A 119 -10.655 -2.492 -7.191 1.00 0.00 C ATOM 1436 O ASP A 119 -11.239 -1.993 -6.229 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.234 -2.401 -9.122 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.629 -1.722 -10.421 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.257 -0.645 -10.359 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.308 -2.267 -11.497 1.00 0.00 O ATOM 0 H ASP A 119 -10.157 -2.854 -10.328 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.853 -0.834 -8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.199 -3.480 -9.276 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.999 -2.211 -8.369 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.826 -3.537 -7.067 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.590 -4.141 -5.753 1.00 0.00 C ATOM 1447 C PHE A 120 -8.187 -3.848 -5.213 1.00 0.00 C ATOM 1448 O PHE A 120 -8.043 -3.383 -4.080 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.886 -5.648 -5.760 1.00 0.00 C ATOM 1450 CG PHE A 120 -9.228 -6.408 -6.881 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -9.759 -6.377 -8.162 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -8.087 -7.158 -6.651 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -9.161 -7.078 -9.190 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -7.485 -7.861 -7.676 1.00 0.00 C ATOM 1455 CZ PHE A 120 -8.022 -7.821 -8.949 1.00 0.00 C ATOM 0 H PHE A 120 -9.320 -3.971 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.293 -3.669 -5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.562 -6.074 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.964 -5.793 -5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.650 -5.798 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -7.663 -7.194 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.584 -7.045 -10.183 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -6.595 -8.442 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.552 -8.369 -9.753 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.154 -4.117 -6.019 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.768 -3.885 -5.595 1.00 0.00 C ATOM 1467 C VAL A 121 -5.499 -2.401 -5.322 1.00 0.00 C ATOM 1468 O VAL A 121 -4.724 -2.064 -4.426 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.746 -4.399 -6.634 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.058 -5.828 -7.048 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.701 -3.489 -7.847 1.00 0.00 C ATOM 0 H VAL A 121 -7.250 -4.493 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.641 -4.449 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.762 -4.390 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.323 -6.164 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.021 -6.477 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.054 -5.870 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.974 -3.873 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.686 -3.455 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.410 -2.485 -7.538 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.137 -1.522 -6.104 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.956 -0.087 -5.931 1.00 0.00 C ATOM 1483 C GLY A 122 -6.190 0.372 -4.500 1.00 0.00 C ATOM 1484 O GLY A 122 -5.467 1.232 -3.995 1.00 0.00 O ATOM 0 H GLY A 122 -6.777 -1.782 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.945 0.185 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.641 0.443 -6.593 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.205 -0.203 -3.851 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.535 0.139 -2.468 1.00 0.00 C ATOM 1490 C ASP A 123 -6.414 -0.280 -1.519 1.00 0.00 C ATOM 1491 O ASP A 123 -5.988 0.501 -0.669 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.843 -0.539 -2.048 1.00 0.00 C ATOM 1493 CG ASP A 123 -10.021 -0.106 -2.900 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.611 0.955 -2.605 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.352 -0.826 -3.865 1.00 0.00 O ATOM 0 H ASP A 123 -7.814 -0.910 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.655 1.221 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.727 -1.621 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.050 -0.307 -1.003 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.943 -1.521 -1.676 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.871 -2.062 -0.838 1.00 0.00 C ATOM 1502 C ILE A 124 -3.612 -1.203 -0.922 1.00 0.00 C ATOM 1503 O ILE A 124 -3.090 -0.750 0.098 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.496 -3.503 -1.253 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.725 -4.414 -1.237 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.410 -4.054 -0.339 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.438 -5.813 -1.732 1.00 0.00 C ATOM 0 H ILE A 124 -6.290 -2.172 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.253 -2.062 0.183 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.110 -3.474 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.115 -4.468 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.506 -3.970 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.158 -5.069 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.523 -3.424 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.771 -4.064 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.351 -6.407 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.076 -5.768 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.679 -6.274 -1.100 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.131 -0.993 -2.147 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.923 -0.208 -2.377 1.00 0.00 C ATOM 1521 C LEU A 125 -2.038 1.188 -1.768 1.00 0.00 C ATOM 1522 O LEU A 125 -1.216 1.559 -0.934 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.606 -0.119 -3.872 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.337 -1.458 -4.564 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.007 -1.245 -6.034 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.212 -2.208 -3.865 1.00 0.00 C ATOM 0 H LEU A 125 -3.562 -1.358 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.100 -0.721 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.440 0.370 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.734 0.521 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.242 -2.063 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.819 -2.208 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.846 -0.755 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.119 -0.619 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.037 -3.157 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.698 -1.608 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.490 -2.397 -2.828 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.057 1.956 -2.163 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.235 3.309 -1.627 1.00 0.00 C ATOM 1540 C TRP A 126 -3.436 3.288 -0.105 1.00 0.00 C ATOM 1541 O TRP A 126 -3.086 4.256 0.572 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.392 4.041 -2.325 1.00 0.00 C ATOM 1543 CG TRP A 126 -4.942 5.189 -1.529 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.619 6.507 -1.658 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -5.903 5.112 -0.469 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.321 7.257 -0.745 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.116 6.423 -0.003 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.604 4.061 0.130 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.000 6.709 1.034 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.480 4.346 1.159 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -7.672 5.660 1.601 1.00 0.00 C ATOM 0 H TRP A 126 -3.762 1.670 -2.842 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.319 3.862 -1.833 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.047 4.411 -3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.194 3.330 -2.524 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -3.914 6.904 -2.373 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.260 8.269 -0.637 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.463 3.044 -0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.150 7.722 1.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.026 3.542 1.630 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -8.365 5.850 2.407 1.00 0.00 H new ATOM 1562 N GLU A 127 -3.987 2.201 0.434 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.188 2.096 1.878 1.00 0.00 C ATOM 1564 C GLU A 127 -2.840 2.173 2.602 1.00 0.00 C ATOM 1565 O GLU A 127 -2.625 3.050 3.440 1.00 0.00 O ATOM 1566 CB GLU A 127 -4.911 0.793 2.234 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.370 0.726 3.681 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.059 -0.584 4.014 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -5.358 -1.548 4.385 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -7.302 -0.645 3.901 1.00 0.00 O ATOM 0 H GLU A 127 -4.299 1.390 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.812 2.929 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.777 0.678 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.247 -0.048 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.510 0.857 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.052 1.552 3.881 1.00 0.00 H new ATOM 1577 N HIS A 128 -1.933 1.256 2.257 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.597 1.227 2.855 1.00 0.00 C ATOM 1579 C HIS A 128 0.247 2.394 2.336 1.00 0.00 C ATOM 1580 O HIS A 128 1.058 2.959 3.070 1.00 0.00 O ATOM 1581 CB HIS A 128 0.096 -0.105 2.541 1.00 0.00 C ATOM 1582 CG HIS A 128 1.426 -0.279 3.214 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.343 -1.235 2.829 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.993 0.383 4.252 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.412 -1.154 3.600 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.225 -0.180 4.470 1.00 0.00 N ATOM 0 H HIS A 128 -2.100 0.524 1.567 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.700 1.325 3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.560 -0.923 2.840 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.234 -0.185 1.463 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.556 1.202 4.805 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.290 -1.779 3.530 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.889 0.108 5.189 1.00 0.00 H new ATOM 1595 N LEU A 129 0.044 2.747 1.064 1.00 0.00 N ATOM 1596 CA LEU A 129 0.768 3.848 0.432 1.00 0.00 C ATOM 1597 C LEU A 129 0.570 5.145 1.212 1.00 0.00 C ATOM 1598 O LEU A 129 1.536 5.834 1.536 1.00 0.00 O ATOM 1599 CB LEU A 129 0.289 4.035 -1.010 1.00 0.00 C ATOM 1600 CG LEU A 129 1.070 5.059 -1.837 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.535 4.660 -1.944 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.452 5.202 -3.219 1.00 0.00 C ATOM 0 H LEU A 129 -0.622 2.280 0.449 1.00 0.00 H new ATOM 0 HA LEU A 129 1.830 3.601 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.337 3.072 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.759 4.333 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 129 1.017 6.023 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.072 5.401 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.971 4.607 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.612 3.686 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.017 5.933 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.476 4.239 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.581 5.536 -3.123 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.691 5.466 1.512 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.016 6.678 2.258 1.00 0.00 C ATOM 1616 C GLU A 130 -0.414 6.615 3.660 1.00 0.00 C ATOM 1617 O GLU A 130 0.035 7.627 4.199 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.534 6.867 2.333 1.00 0.00 C ATOM 1619 CG GLU A 130 -2.954 8.212 2.900 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.450 8.441 2.804 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.184 7.953 3.691 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -4.889 9.105 1.842 1.00 0.00 O ATOM 0 H GLU A 130 -1.500 4.903 1.249 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.588 7.534 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.955 6.756 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.960 6.074 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.646 8.275 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.433 9.007 2.366 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.414 5.413 4.243 1.00 0.00 N ATOM 1630 CA ILE A 131 0.153 5.195 5.570 1.00 0.00 C ATOM 1631 C ILE A 131 1.647 5.528 5.567 1.00 0.00 C ATOM 1632 O ILE A 131 2.137 6.216 6.463 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.064 3.733 6.030 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.538 3.500 6.375 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.824 3.394 7.220 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.895 2.042 6.570 1.00 0.00 C ATOM 0 H ILE A 131 -0.803 4.575 3.812 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.358 5.855 6.271 1.00 0.00 H new ATOM 0 HB ILE A 131 0.213 3.073 5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.780 4.049 7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.158 3.913 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.650 2.361 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.870 3.519 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.588 4.059 8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.954 1.956 6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.686 1.490 5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.302 1.628 7.386 1.00 0.00 H new ATOM 1648 N LEU A 132 2.356 5.043 4.542 1.00 0.00 N ATOM 1649 CA LEU A 132 3.792 5.295 4.391 1.00 0.00 C ATOM 1650 C LEU A 132 4.090 6.796 4.394 1.00 0.00 C ATOM 1651 O LEU A 132 5.112 7.232 4.928 1.00 0.00 O ATOM 1652 CB LEU A 132 4.306 4.663 3.092 1.00 0.00 C ATOM 1653 CG LEU A 132 4.310 3.132 3.068 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.589 2.620 1.664 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.339 2.587 4.049 1.00 0.00 C ATOM 0 H LEU A 132 1.954 4.470 3.800 1.00 0.00 H new ATOM 0 HA LEU A 132 4.306 4.842 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.693 5.022 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.322 5.016 2.912 1.00 0.00 H new ATOM 0 HG LEU A 132 3.324 2.781 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.588 1.530 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.817 2.982 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.562 2.981 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.329 1.497 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.330 2.948 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.096 2.925 5.056 1.00 0.00 H new ATOM 1667 N GLN A 133 3.193 7.580 3.788 1.00 0.00 N ATOM 1668 CA GLN A 133 3.345 9.033 3.726 1.00 0.00 C ATOM 1669 C GLN A 133 3.321 9.647 5.126 1.00 0.00 C ATOM 1670 O GLN A 133 4.120 10.533 5.438 1.00 0.00 O ATOM 1671 CB GLN A 133 2.229 9.651 2.878 1.00 0.00 C ATOM 1672 CG GLN A 133 2.126 9.069 1.478 1.00 0.00 C ATOM 1673 CD GLN A 133 0.963 9.639 0.688 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.573 10.793 0.872 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.398 8.829 -0.203 1.00 0.00 N ATOM 0 H GLN A 133 2.351 7.228 3.332 1.00 0.00 H new ATOM 0 HA GLN A 133 4.310 9.248 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 133 1.277 9.511 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.396 10.726 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 133 3.054 9.262 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 133 2.017 7.987 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.751 7.880 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.388 9.157 -0.764 1.00 0.00 H new