USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=14 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 Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= -0.0625 (180deg=-0.391) USER MOD Single : A 60 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.2!) USER MOD Single : A 61 GLN : amide:sc= -1.04 K(o=-1,f=-0.33) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0209) USER MOD Single : A 71 GLN : amide:sc= 0.0112 X(o=0.011,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= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 82 MET CE :methyl -168:sc= -0.783 (180deg=-1.23!) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc=-0.00288 (180deg=-0.118) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.0411 (180deg=-0.311) USER MOD Single : A 99 CYS SG : rot 44:sc= -2.1! USER MOD Single : A 100 MET CE :methyl -116:sc= -0.221 (180deg=-0.628) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 76:sc= -1.43 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=-0.00985 X(o=-0.0098,f=-0.15) USER MOD Single : A 133 GLN : amide:sc= -1.37 X(o=-1.4,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.642 -6.985 7.225 1.00 0.00 N ATOM 414 CA GLY A 55 6.984 -7.592 5.947 1.00 0.00 C ATOM 415 C GLY A 55 7.483 -6.578 4.923 1.00 0.00 C ATOM 416 O GLY A 55 7.968 -6.957 3.857 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.752 -8.350 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.108 -8.103 5.547 1.00 0.00 H new ATOM 420 N PHE A 56 7.369 -5.288 5.253 1.00 0.00 N ATOM 421 CA PHE A 56 7.809 -4.221 4.360 1.00 0.00 C ATOM 422 C PHE A 56 9.223 -3.777 4.716 1.00 0.00 C ATOM 423 O PHE A 56 10.072 -3.638 3.839 1.00 0.00 O ATOM 424 CB PHE A 56 6.847 -3.029 4.419 1.00 0.00 C ATOM 425 CG PHE A 56 7.103 -1.990 3.356 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.473 -2.367 2.072 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.973 -0.640 3.640 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.709 -1.419 1.097 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.209 0.313 2.666 1.00 0.00 C ATOM 430 CZ PHE A 56 7.578 -0.077 1.393 1.00 0.00 C ATOM 0 H PHE A 56 6.974 -4.961 6.135 1.00 0.00 H new ATOM 0 HA PHE A 56 7.811 -4.610 3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.825 -3.393 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.924 -2.559 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.577 -3.415 1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.684 -0.329 4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.996 -1.727 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.105 1.362 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.763 0.666 0.631 1.00 0.00 H new ATOM 440 N THR A 57 9.468 -3.562 6.012 1.00 0.00 N ATOM 441 CA THR A 57 10.783 -3.140 6.493 1.00 0.00 C ATOM 442 C THR A 57 11.870 -4.133 6.077 1.00 0.00 C ATOM 443 O THR A 57 12.996 -3.732 5.776 1.00 0.00 O ATOM 444 CB THR A 57 10.799 -2.966 8.025 1.00 0.00 C ATOM 445 OG1 THR A 57 9.755 -2.072 8.430 1.00 0.00 O ATOM 446 CG2 THR A 57 12.140 -2.427 8.502 1.00 0.00 C ATOM 0 H THR A 57 8.770 -3.674 6.747 1.00 0.00 H new ATOM 0 HA THR A 57 10.992 -2.174 6.033 1.00 0.00 H new ATOM 0 HB THR A 57 10.638 -3.946 8.475 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.772 -1.969 9.404 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.122 -2.314 9.586 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.932 -3.122 8.222 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.328 -1.458 8.040 1.00 0.00 H new ATOM 454 N LYS A 58 11.532 -5.426 6.061 1.00 0.00 N ATOM 455 CA LYS A 58 12.487 -6.459 5.655 1.00 0.00 C ATOM 456 C LYS A 58 12.890 -6.264 4.194 1.00 0.00 C ATOM 457 O LYS A 58 14.021 -6.559 3.807 1.00 0.00 O ATOM 458 CB LYS A 58 11.897 -7.860 5.852 1.00 0.00 C ATOM 459 CG LYS A 58 10.618 -8.112 5.064 1.00 0.00 C ATOM 460 CD LYS A 58 10.119 -9.536 5.255 1.00 0.00 C ATOM 461 CE LYS A 58 8.962 -9.864 4.320 1.00 0.00 C ATOM 462 NZ LYS A 58 9.349 -9.753 2.885 1.00 0.00 N ATOM 0 H LYS A 58 10.612 -5.779 6.322 1.00 0.00 H new ATOM 0 HA LYS A 58 13.372 -6.366 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.642 -8.601 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.694 -8.011 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.848 -7.409 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.799 -7.927 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.937 -10.234 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.801 -9.673 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.609 -10.875 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.130 -9.190 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.615 -10.190 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.448 -8.750 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.254 -10.241 2.731 1.00 0.00 H new ATOM 476 N GLU A 59 11.949 -5.767 3.393 1.00 0.00 N ATOM 477 CA GLU A 59 12.189 -5.509 1.981 1.00 0.00 C ATOM 478 C GLU A 59 12.902 -4.168 1.799 1.00 0.00 C ATOM 479 O GLU A 59 13.814 -4.048 0.979 1.00 0.00 O ATOM 480 CB GLU A 59 10.856 -5.514 1.223 1.00 0.00 C ATOM 481 CG GLU A 59 10.938 -4.950 -0.188 1.00 0.00 C ATOM 482 CD GLU A 59 10.197 -3.632 -0.332 1.00 0.00 C ATOM 483 OE1 GLU A 59 10.583 -2.654 0.342 1.00 0.00 O ATOM 484 OE2 GLU A 59 9.226 -3.580 -1.116 1.00 0.00 O ATOM 0 H GLU A 59 11.006 -5.534 3.705 1.00 0.00 H new ATOM 0 HA GLU A 59 12.829 -6.294 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.484 -6.537 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.126 -4.937 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.984 -4.806 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.524 -5.674 -0.890 1.00 0.00 H new ATOM 491 N GLN A 60 12.474 -3.163 2.569 1.00 0.00 N ATOM 492 CA GLN A 60 13.064 -1.824 2.509 1.00 0.00 C ATOM 493 C GLN A 60 14.555 -1.847 2.847 1.00 0.00 C ATOM 494 O GLN A 60 15.305 -0.977 2.404 1.00 0.00 O ATOM 495 CB GLN A 60 12.336 -0.883 3.469 1.00 0.00 C ATOM 496 CG GLN A 60 10.865 -0.697 3.142 1.00 0.00 C ATOM 497 CD GLN A 60 10.150 0.169 4.159 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.626 -0.330 5.156 1.00 0.00 O ATOM 499 NE2 GLN A 60 10.120 1.473 3.913 1.00 0.00 N ATOM 0 H GLN A 60 11.716 -3.254 3.245 1.00 0.00 H new ATOM 0 HA GLN A 60 12.954 -1.463 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.427 -1.271 4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.828 0.089 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.770 -0.246 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.380 -1.672 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.567 1.844 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.650 2.104 4.562 1.00 0.00 H new ATOM 508 N GLN A 61 14.977 -2.829 3.643 1.00 0.00 N ATOM 509 CA GLN A 61 16.386 -2.951 4.023 1.00 0.00 C ATOM 510 C GLN A 61 17.174 -3.734 2.972 1.00 0.00 C ATOM 511 O GLN A 61 18.323 -3.401 2.675 1.00 0.00 O ATOM 512 CB GLN A 61 16.524 -3.612 5.399 1.00 0.00 C ATOM 513 CG GLN A 61 15.963 -5.023 5.470 1.00 0.00 C ATOM 514 CD GLN A 61 16.067 -5.625 6.859 1.00 0.00 C ATOM 515 OE1 GLN A 61 17.058 -6.276 7.192 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.044 -5.410 7.680 1.00 0.00 N ATOM 0 H GLN A 61 14.369 -3.548 4.036 1.00 0.00 H new ATOM 0 HA GLN A 61 16.803 -1.946 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.579 -3.638 5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.017 -2.993 6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.918 -5.010 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.496 -5.658 4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.242 -4.865 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.061 -5.790 8.626 1.00 0.00 H new ATOM 525 N ARG A 62 16.553 -4.771 2.410 1.00 0.00 N ATOM 526 CA ARG A 62 17.196 -5.593 1.383 1.00 0.00 C ATOM 527 C ARG A 62 17.350 -4.826 0.066 1.00 0.00 C ATOM 528 O ARG A 62 18.322 -5.026 -0.665 1.00 0.00 O ATOM 529 CB ARG A 62 16.391 -6.872 1.141 1.00 0.00 C ATOM 530 CG ARG A 62 16.459 -7.867 2.289 1.00 0.00 C ATOM 531 CD ARG A 62 15.604 -9.096 2.017 1.00 0.00 C ATOM 532 NE ARG A 62 14.182 -8.764 1.911 1.00 0.00 N ATOM 533 CZ ARG A 62 13.274 -9.538 1.313 1.00 0.00 C ATOM 534 NH1 ARG A 62 13.626 -10.700 0.765 1.00 0.00 N ATOM 535 NH2 ARG A 62 12.004 -9.151 1.265 1.00 0.00 N ATOM 0 H ARG A 62 15.605 -5.062 2.648 1.00 0.00 H new ATOM 0 HA ARG A 62 18.190 -5.853 1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.349 -6.606 0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.755 -7.353 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.494 -8.171 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.124 -7.386 3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.935 -9.570 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.748 -9.822 2.817 1.00 0.00 H new ATOM 0 HE ARG A 62 13.865 -7.885 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.598 -11.007 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.923 -11.283 0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.725 -8.264 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.308 -9.741 0.809 1.00 0.00 H new ATOM 549 N LEU A 63 16.387 -3.949 -0.229 1.00 0.00 N ATOM 550 CA LEU A 63 16.401 -3.155 -1.459 1.00 0.00 C ATOM 551 C LEU A 63 16.906 -1.732 -1.209 1.00 0.00 C ATOM 552 O LEU A 63 17.556 -1.141 -2.074 1.00 0.00 O ATOM 553 CB LEU A 63 14.991 -3.088 -2.055 1.00 0.00 C ATOM 554 CG LEU A 63 14.293 -4.437 -2.255 1.00 0.00 C ATOM 555 CD1 LEU A 63 12.887 -4.231 -2.799 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.100 -5.326 -3.188 1.00 0.00 C ATOM 0 H LEU A 63 15.583 -3.771 0.372 1.00 0.00 H new ATOM 0 HA LEU A 63 17.081 -3.644 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.370 -2.471 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.047 -2.581 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 63 14.221 -4.934 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.404 -5.199 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.308 -3.633 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.940 -3.713 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.587 -6.279 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.205 -4.837 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.087 -5.500 -2.761 1.00 0.00 H new ATOM 568 N GLY A 64 16.603 -1.187 -0.029 1.00 0.00 N ATOM 569 CA GLY A 64 17.018 0.170 0.300 1.00 0.00 C ATOM 570 C GLY A 64 15.881 1.180 0.176 1.00 0.00 C ATOM 571 O GLY A 64 16.073 2.367 0.447 1.00 0.00 O ATOM 0 H GLY A 64 16.077 -1.662 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.407 0.190 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.835 0.466 -0.359 1.00 0.00 H new ATOM 575 N ILE A 65 14.699 0.707 -0.240 1.00 0.00 N ATOM 576 CA ILE A 65 13.524 1.566 -0.401 1.00 0.00 C ATOM 577 C ILE A 65 13.232 2.356 0.879 1.00 0.00 C ATOM 578 O ILE A 65 13.094 1.775 1.956 1.00 0.00 O ATOM 579 CB ILE A 65 12.268 0.745 -0.778 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.535 -0.104 -2.027 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.080 1.671 -1.007 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.367 -0.976 -2.433 1.00 0.00 C ATOM 0 H ILE A 65 14.533 -0.272 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 65 13.755 2.259 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 65 12.032 0.075 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.789 0.556 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.404 -0.737 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.203 1.080 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.877 2.234 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.309 2.363 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.631 -1.546 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.126 -1.662 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.502 -0.349 -2.647 1.00 0.00 H new ATOM 594 N PRO A 66 13.135 3.699 0.771 1.00 0.00 N ATOM 595 CA PRO A 66 12.856 4.573 1.920 1.00 0.00 C ATOM 596 C PRO A 66 11.466 4.342 2.512 1.00 0.00 C ATOM 597 O PRO A 66 10.662 3.585 1.964 1.00 0.00 O ATOM 598 CB PRO A 66 12.947 5.992 1.339 1.00 0.00 C ATOM 599 CG PRO A 66 13.631 5.845 0.023 1.00 0.00 C ATOM 600 CD PRO A 66 13.298 4.469 -0.472 1.00 0.00 C ATOM 0 HA PRO A 66 13.554 4.385 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.956 6.430 1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.509 6.651 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.289 6.605 -0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.709 5.970 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.387 4.465 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.093 4.062 -1.097 1.00 0.00 H new ATOM 608 N LYS A 67 11.191 5.007 3.634 1.00 0.00 N ATOM 609 CA LYS A 67 9.898 4.888 4.308 1.00 0.00 C ATOM 610 C LYS A 67 8.924 5.980 3.851 1.00 0.00 C ATOM 611 O LYS A 67 7.711 5.845 4.030 1.00 0.00 O ATOM 612 CB LYS A 67 10.088 4.957 5.828 1.00 0.00 C ATOM 613 CG LYS A 67 8.813 4.710 6.625 1.00 0.00 C ATOM 614 CD LYS A 67 8.271 3.306 6.400 1.00 0.00 C ATOM 615 CE LYS A 67 6.982 3.075 7.174 1.00 0.00 C ATOM 616 NZ LYS A 67 6.479 1.681 7.013 1.00 0.00 N ATOM 0 H LYS A 67 11.848 5.635 4.096 1.00 0.00 H new ATOM 0 HA LYS A 67 9.469 3.922 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.837 4.222 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.483 5.938 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.013 4.857 7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.058 5.442 6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.091 3.151 5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.017 2.573 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.152 3.280 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.222 3.777 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.565 1.583 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.357 1.471 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.163 1.015 7.425 1.00 0.00 H new ATOM 630 N ASP A 68 9.451 7.056 3.258 1.00 0.00 N ATOM 631 CA ASP A 68 8.613 8.157 2.792 1.00 0.00 C ATOM 632 C ASP A 68 8.248 7.991 1.317 1.00 0.00 C ATOM 633 O ASP A 68 9.126 7.921 0.455 1.00 0.00 O ATOM 634 CB ASP A 68 9.316 9.498 3.006 1.00 0.00 C ATOM 635 CG ASP A 68 8.434 10.679 2.644 1.00 0.00 C ATOM 636 OD1 ASP A 68 7.356 10.830 3.259 1.00 0.00 O ATOM 637 OD2 ASP A 68 8.820 11.451 1.744 1.00 0.00 O ATOM 0 H ASP A 68 10.449 7.185 3.092 1.00 0.00 H new ATOM 0 HA ASP A 68 7.694 8.141 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.621 9.582 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.224 9.529 2.404 1.00 0.00 H new ATOM 642 N PRO A 69 6.936 7.933 1.016 1.00 0.00 N ATOM 643 CA PRO A 69 6.434 7.781 -0.357 1.00 0.00 C ATOM 644 C PRO A 69 6.720 8.997 -1.240 1.00 0.00 C ATOM 645 O PRO A 69 6.823 8.861 -2.457 1.00 0.00 O ATOM 646 CB PRO A 69 4.925 7.592 -0.172 1.00 0.00 C ATOM 647 CG PRO A 69 4.619 8.213 1.145 1.00 0.00 C ATOM 648 CD PRO A 69 5.837 8.007 1.997 1.00 0.00 C ATOM 0 HA PRO A 69 6.923 6.952 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.366 8.072 -0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.655 6.536 -0.183 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.397 9.274 1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.743 7.750 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.980 8.829 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.764 7.094 2.587 1.00 0.00 H new ATOM 656 N ARG A 70 6.843 10.184 -0.637 1.00 0.00 N ATOM 657 CA ARG A 70 7.138 11.396 -1.404 1.00 0.00 C ATOM 658 C ARG A 70 8.594 11.388 -1.875 1.00 0.00 C ATOM 659 O ARG A 70 8.907 11.894 -2.954 1.00 0.00 O ATOM 660 CB ARG A 70 6.861 12.660 -0.583 1.00 0.00 C ATOM 661 CG ARG A 70 5.404 12.837 -0.184 1.00 0.00 C ATOM 662 CD ARG A 70 5.096 12.141 1.132 1.00 0.00 C ATOM 663 NE ARG A 70 3.860 12.634 1.740 1.00 0.00 N ATOM 664 CZ ARG A 70 3.613 12.623 3.053 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.501 12.118 3.906 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.467 13.112 3.515 1.00 0.00 N ATOM 0 H ARG A 70 6.744 10.330 0.368 1.00 0.00 H new ATOM 0 HA ARG A 70 6.480 11.405 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.473 12.635 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.177 13.530 -1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.177 13.899 -0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.760 12.437 -0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.013 11.067 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.925 12.292 1.824 1.00 0.00 H new ATOM 0 HE ARG A 70 3.141 13.010 1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.380 11.734 3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.302 12.115 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.778 13.495 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.276 13.105 4.517 1.00 0.00 H new ATOM 680 N GLN A 71 9.478 10.810 -1.056 1.00 0.00 N ATOM 681 CA GLN A 71 10.899 10.716 -1.388 1.00 0.00 C ATOM 682 C GLN A 71 11.212 9.384 -2.080 1.00 0.00 C ATOM 683 O GLN A 71 12.237 8.753 -1.807 1.00 0.00 O ATOM 684 CB GLN A 71 11.751 10.872 -0.124 1.00 0.00 C ATOM 685 CG GLN A 71 11.709 12.271 0.469 1.00 0.00 C ATOM 686 CD GLN A 71 12.354 12.345 1.840 1.00 0.00 C ATOM 687 OE1 GLN A 71 13.555 12.590 1.961 1.00 0.00 O ATOM 688 NE2 GLN A 71 11.557 12.132 2.883 1.00 0.00 N ATOM 0 H GLN A 71 9.231 10.399 -0.156 1.00 0.00 H new ATOM 0 HA GLN A 71 11.142 11.524 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.409 10.158 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.784 10.617 -0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.216 12.962 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.672 12.600 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.568 11.932 2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.935 12.168 3.830 1.00 0.00 H new ATOM 697 N TRP A 72 10.319 8.967 -2.980 1.00 0.00 N ATOM 698 CA TRP A 72 10.487 7.726 -3.727 1.00 0.00 C ATOM 699 C TRP A 72 10.701 8.015 -5.210 1.00 0.00 C ATOM 700 O TRP A 72 10.560 9.158 -5.651 1.00 0.00 O ATOM 701 CB TRP A 72 9.245 6.849 -3.565 1.00 0.00 C ATOM 702 CG TRP A 72 9.317 5.888 -2.422 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.231 5.873 -1.408 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.432 4.794 -2.181 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.964 4.834 -0.552 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.864 4.157 -1.005 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.312 4.291 -2.850 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.215 3.044 -0.482 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.669 3.187 -2.329 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.123 2.574 -1.156 1.00 0.00 C ATOM 0 H TRP A 72 9.466 9.478 -3.208 1.00 0.00 H new ATOM 0 HA TRP A 72 11.362 7.207 -3.334 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.375 7.492 -3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 72 9.087 6.289 -4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 72 11.044 6.575 -1.296 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.498 4.604 0.286 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.957 4.758 -3.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.561 2.568 0.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.801 2.790 -2.835 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.599 1.710 -0.775 1.00 0.00 H new ATOM 721 N THR A 73 11.042 6.981 -5.978 1.00 0.00 N ATOM 722 CA THR A 73 11.227 7.134 -7.418 1.00 0.00 C ATOM 723 C THR A 73 10.520 6.002 -8.159 1.00 0.00 C ATOM 724 O THR A 73 9.885 5.153 -7.533 1.00 0.00 O ATOM 725 CB THR A 73 12.720 7.160 -7.812 1.00 0.00 C ATOM 726 OG1 THR A 73 13.330 5.897 -7.515 1.00 0.00 O ATOM 727 CG2 THR A 73 13.457 8.264 -7.073 1.00 0.00 C ATOM 0 H THR A 73 11.195 6.035 -5.629 1.00 0.00 H new ATOM 0 HA THR A 73 10.792 8.092 -7.702 1.00 0.00 H new ATOM 0 HB THR A 73 12.783 7.353 -8.883 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.276 5.923 -7.770 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.506 8.261 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.013 9.228 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.381 8.096 -5.999 1.00 0.00 H new ATOM 735 N GLU A 74 10.627 5.986 -9.489 1.00 0.00 N ATOM 736 CA GLU A 74 9.984 4.944 -10.291 1.00 0.00 C ATOM 737 C GLU A 74 10.321 3.550 -9.760 1.00 0.00 C ATOM 738 O GLU A 74 9.462 2.666 -9.734 1.00 0.00 O ATOM 739 CB GLU A 74 10.406 5.055 -11.760 1.00 0.00 C ATOM 740 CG GLU A 74 9.998 6.364 -12.417 1.00 0.00 C ATOM 741 CD GLU A 74 10.256 6.373 -13.911 1.00 0.00 C ATOM 742 OE1 GLU A 74 9.361 5.948 -14.671 1.00 0.00 O ATOM 743 OE2 GLU A 74 11.354 6.806 -14.321 1.00 0.00 O ATOM 0 H GLU A 74 11.148 6.676 -10.030 1.00 0.00 H new ATOM 0 HA GLU A 74 8.906 5.091 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.489 4.947 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.968 4.227 -12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.938 6.543 -12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.545 7.185 -11.953 1.00 0.00 H new ATOM 750 N THR A 75 11.572 3.364 -9.332 1.00 0.00 N ATOM 751 CA THR A 75 12.023 2.080 -8.802 1.00 0.00 C ATOM 752 C THR A 75 11.323 1.745 -7.483 1.00 0.00 C ATOM 753 O THR A 75 10.702 0.693 -7.357 1.00 0.00 O ATOM 754 CB THR A 75 13.551 2.066 -8.585 1.00 0.00 C ATOM 755 OG1 THR A 75 14.222 2.410 -9.805 1.00 0.00 O ATOM 756 CG2 THR A 75 14.027 0.700 -8.114 1.00 0.00 C ATOM 0 H THR A 75 12.290 4.089 -9.343 1.00 0.00 H new ATOM 0 HA THR A 75 11.763 1.325 -9.544 1.00 0.00 H new ATOM 0 HB THR A 75 13.788 2.800 -7.814 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.191 2.401 -9.659 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.107 0.721 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.540 0.450 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.775 -0.051 -8.863 1.00 0.00 H new ATOM 764 N HIS A 76 11.426 2.648 -6.504 1.00 0.00 N ATOM 765 CA HIS A 76 10.805 2.439 -5.191 1.00 0.00 C ATOM 766 C HIS A 76 9.293 2.243 -5.320 1.00 0.00 C ATOM 767 O HIS A 76 8.703 1.420 -4.616 1.00 0.00 O ATOM 768 CB HIS A 76 11.098 3.617 -4.256 1.00 0.00 C ATOM 769 CG HIS A 76 12.558 3.851 -4.015 1.00 0.00 C ATOM 770 ND1 HIS A 76 13.124 5.108 -3.981 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.573 2.981 -3.797 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.419 5.001 -3.751 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.717 3.721 -3.635 1.00 0.00 N ATOM 0 H HIS A 76 11.932 3.529 -6.594 1.00 0.00 H new ATOM 0 HA HIS A 76 11.237 1.534 -4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.660 4.521 -4.678 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.605 3.441 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.496 1.904 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.116 5.822 -3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.647 3.343 -3.454 1.00 0.00 H new ATOM 782 N VAL A 77 8.675 3.007 -6.221 1.00 0.00 N ATOM 783 CA VAL A 77 7.236 2.927 -6.460 1.00 0.00 C ATOM 784 C VAL A 77 6.826 1.542 -6.961 1.00 0.00 C ATOM 785 O VAL A 77 5.898 0.931 -6.430 1.00 0.00 O ATOM 786 CB VAL A 77 6.790 3.990 -7.492 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.367 3.725 -7.972 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.900 5.384 -6.890 1.00 0.00 C ATOM 0 H VAL A 77 9.155 3.694 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 77 6.744 3.115 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 77 7.452 3.927 -8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.079 4.487 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.318 2.742 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.685 3.756 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.584 6.124 -7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.261 5.451 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.934 5.576 -6.604 1.00 0.00 H new ATOM 798 N ARG A 78 7.537 1.049 -7.978 1.00 0.00 N ATOM 799 CA ARG A 78 7.244 -0.255 -8.570 1.00 0.00 C ATOM 800 C ARG A 78 7.706 -1.393 -7.663 1.00 0.00 C ATOM 801 O ARG A 78 7.008 -2.399 -7.529 1.00 0.00 O ATOM 802 CB ARG A 78 7.887 -0.377 -9.956 1.00 0.00 C ATOM 803 CG ARG A 78 9.403 -0.506 -9.927 1.00 0.00 C ATOM 804 CD ARG A 78 9.982 -0.615 -11.328 1.00 0.00 C ATOM 805 NE ARG A 78 9.828 0.626 -12.091 1.00 0.00 N ATOM 806 CZ ARG A 78 10.598 0.965 -13.129 1.00 0.00 C ATOM 807 NH1 ARG A 78 11.583 0.167 -13.532 1.00 0.00 N ATOM 808 NH2 ARG A 78 10.379 2.110 -13.769 1.00 0.00 N ATOM 0 H ARG A 78 8.322 1.537 -8.409 1.00 0.00 H new ATOM 0 HA ARG A 78 6.163 -0.334 -8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.469 -1.246 -10.464 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.619 0.498 -10.548 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.833 0.359 -9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.683 -1.386 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.040 -0.870 -11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.490 -1.429 -11.860 1.00 0.00 H new ATOM 0 HE ARG A 78 9.088 1.271 -11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.757 -0.714 -13.047 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.165 0.436 -14.326 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.625 2.727 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.965 2.371 -14.562 1.00 0.00 H new ATOM 822 N ASP A 79 8.878 -1.238 -7.047 1.00 0.00 N ATOM 823 CA ASP A 79 9.401 -2.266 -6.152 1.00 0.00 C ATOM 824 C ASP A 79 8.440 -2.501 -4.987 1.00 0.00 C ATOM 825 O ASP A 79 8.280 -3.633 -4.525 1.00 0.00 O ATOM 826 CB ASP A 79 10.791 -1.890 -5.638 1.00 0.00 C ATOM 827 CG ASP A 79 11.899 -2.349 -6.567 1.00 0.00 C ATOM 828 OD1 ASP A 79 12.043 -1.761 -7.659 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.621 -3.301 -6.204 1.00 0.00 O ATOM 0 H ASP A 79 9.477 -0.419 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 79 9.492 -3.194 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.849 -0.808 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.942 -2.331 -4.653 1.00 0.00 H new ATOM 834 N TRP A 80 7.803 -1.423 -4.513 1.00 0.00 N ATOM 835 CA TRP A 80 6.839 -1.538 -3.423 1.00 0.00 C ATOM 836 C TRP A 80 5.575 -2.213 -3.950 1.00 0.00 C ATOM 837 O TRP A 80 5.182 -3.265 -3.453 1.00 0.00 O ATOM 838 CB TRP A 80 6.519 -0.171 -2.803 1.00 0.00 C ATOM 839 CG TRP A 80 5.207 -0.140 -2.072 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.933 -0.679 -0.847 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.987 0.450 -2.531 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.617 -0.460 -0.520 1.00 0.00 N ATOM 843 CE2 TRP A 80 3.015 0.231 -1.538 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.623 1.144 -3.688 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.703 0.680 -1.669 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.323 1.589 -3.816 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.377 1.355 -2.812 1.00 0.00 C ATOM 0 H TRP A 80 7.938 -0.475 -4.865 1.00 0.00 H new ATOM 0 HA TRP A 80 7.273 -2.146 -2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.317 0.103 -2.113 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.506 0.583 -3.590 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.647 -1.201 -0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.162 -0.763 0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.346 1.329 -4.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.970 0.501 -0.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.031 2.127 -4.706 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.367 1.716 -2.943 1.00 0.00 H new ATOM 858 N VAL A 81 4.928 -1.575 -4.936 1.00 0.00 N ATOM 859 CA VAL A 81 3.728 -2.131 -5.570 1.00 0.00 C ATOM 860 C VAL A 81 3.877 -3.637 -5.790 1.00 0.00 C ATOM 861 O VAL A 81 3.029 -4.419 -5.362 1.00 0.00 O ATOM 862 CB VAL A 81 3.438 -1.446 -6.929 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.381 -2.209 -7.716 1.00 0.00 C ATOM 864 CG2 VAL A 81 3.003 -0.004 -6.722 1.00 0.00 C ATOM 0 H VAL A 81 5.218 -0.672 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 81 2.893 -1.944 -4.895 1.00 0.00 H new ATOM 0 HB VAL A 81 4.362 -1.452 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.199 -1.704 -8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.731 -3.224 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.456 -2.246 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.804 0.458 -7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.097 0.019 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.795 0.545 -6.213 1.00 0.00 H new ATOM 874 N MET A 82 4.969 -4.030 -6.450 1.00 0.00 N ATOM 875 CA MET A 82 5.247 -5.439 -6.722 1.00 0.00 C ATOM 876 C MET A 82 5.264 -6.246 -5.424 1.00 0.00 C ATOM 877 O MET A 82 4.666 -7.321 -5.341 1.00 0.00 O ATOM 878 CB MET A 82 6.589 -5.579 -7.445 1.00 0.00 C ATOM 879 CG MET A 82 6.810 -6.947 -8.071 1.00 0.00 C ATOM 880 SD MET A 82 8.213 -6.970 -9.204 1.00 0.00 S ATOM 881 CE MET A 82 7.677 -5.778 -10.432 1.00 0.00 C ATOM 0 H MET A 82 5.677 -3.388 -6.807 1.00 0.00 H new ATOM 0 HA MET A 82 4.455 -5.830 -7.361 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.652 -4.819 -8.224 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.394 -5.379 -6.738 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.972 -7.682 -7.282 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.910 -7.248 -8.607 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.330 -5.835 -11.303 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.652 -5.999 -10.731 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.723 -4.774 -10.009 1.00 0.00 H new ATOM 891 N TRP A 83 5.956 -5.714 -4.415 1.00 0.00 N ATOM 892 CA TRP A 83 6.043 -6.358 -3.106 1.00 0.00 C ATOM 893 C TRP A 83 4.652 -6.498 -2.475 1.00 0.00 C ATOM 894 O TRP A 83 4.346 -7.520 -1.862 1.00 0.00 O ATOM 895 CB TRP A 83 6.977 -5.555 -2.189 1.00 0.00 C ATOM 896 CG TRP A 83 6.800 -5.851 -0.730 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.441 -6.811 -0.001 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.919 -5.179 0.174 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.008 -6.778 1.302 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.073 -5.783 1.434 1.00 0.00 C ATOM 901 CE3 TRP A 83 5.012 -4.124 0.038 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.353 -5.367 2.551 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.299 -3.712 1.146 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.473 -4.331 2.390 1.00 0.00 C ATOM 0 H TRP A 83 6.467 -4.834 -4.482 1.00 0.00 H new ATOM 0 HA TRP A 83 6.454 -7.359 -3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.010 -5.762 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.808 -4.491 -2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.180 -7.495 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.329 -7.393 2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.872 -3.640 -0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.484 -5.845 3.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.595 -2.898 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.902 -3.984 3.239 1.00 0.00 H new ATOM 915 N ALA A 84 3.816 -5.467 -2.636 1.00 0.00 N ATOM 916 CA ALA A 84 2.457 -5.482 -2.093 1.00 0.00 C ATOM 917 C ALA A 84 1.582 -6.499 -2.832 1.00 0.00 C ATOM 918 O ALA A 84 0.568 -6.961 -2.303 1.00 0.00 O ATOM 919 CB ALA A 84 1.839 -4.092 -2.164 1.00 0.00 C ATOM 0 H ALA A 84 4.058 -4.613 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 84 2.513 -5.783 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.829 -4.122 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.444 -3.395 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.801 -3.763 -3.203 1.00 0.00 H new ATOM 925 N VAL A 85 1.991 -6.849 -4.056 1.00 0.00 N ATOM 926 CA VAL A 85 1.270 -7.822 -4.866 1.00 0.00 C ATOM 927 C VAL A 85 1.627 -9.240 -4.419 1.00 0.00 C ATOM 928 O VAL A 85 0.819 -10.160 -4.539 1.00 0.00 O ATOM 929 CB VAL A 85 1.594 -7.657 -6.368 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.988 -8.790 -7.184 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.097 -6.313 -6.878 1.00 0.00 C ATOM 0 H VAL A 85 2.823 -6.467 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 85 0.203 -7.648 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 85 2.677 -7.695 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.231 -8.650 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.393 -9.742 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.095 -8.790 -7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.334 -6.215 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.018 -6.248 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.582 -5.511 -6.322 1.00 0.00 H new ATOM 941 N ASN A 86 2.851 -9.404 -3.906 1.00 0.00 N ATOM 942 CA ASN A 86 3.325 -10.698 -3.423 1.00 0.00 C ATOM 943 C ASN A 86 2.831 -10.962 -1.998 1.00 0.00 C ATOM 944 O ASN A 86 2.548 -12.105 -1.637 1.00 0.00 O ATOM 945 CB ASN A 86 4.856 -10.751 -3.462 1.00 0.00 C ATOM 946 CG ASN A 86 5.418 -10.473 -4.848 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.806 -10.813 -5.860 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.590 -9.847 -4.898 1.00 0.00 N ATOM 0 H ASN A 86 3.532 -8.650 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 86 2.924 -11.472 -4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.259 -10.022 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.190 -11.734 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.015 -9.631 -5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.064 -9.583 -4.035 1.00 0.00 H new ATOM 955 N GLU A 87 2.730 -9.897 -1.195 1.00 0.00 N ATOM 956 CA GLU A 87 2.268 -10.013 0.189 1.00 0.00 C ATOM 957 C GLU A 87 0.772 -10.315 0.241 1.00 0.00 C ATOM 958 O GLU A 87 0.322 -11.122 1.057 1.00 0.00 O ATOM 959 CB GLU A 87 2.557 -8.721 0.962 1.00 0.00 C ATOM 960 CG GLU A 87 4.036 -8.380 1.068 1.00 0.00 C ATOM 961 CD GLU A 87 4.767 -9.229 2.090 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.159 -10.364 1.749 1.00 0.00 O ATOM 963 OE2 GLU A 87 4.952 -8.756 3.232 1.00 0.00 O ATOM 0 H GLU A 87 2.962 -8.946 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 87 2.809 -10.838 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.038 -7.895 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.143 -8.810 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.504 -8.511 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.143 -7.328 1.334 1.00 0.00 H new ATOM 970 N PHE A 88 0.007 -9.662 -0.638 1.00 0.00 N ATOM 971 CA PHE A 88 -1.441 -9.855 -0.697 1.00 0.00 C ATOM 972 C PHE A 88 -1.850 -10.742 -1.880 1.00 0.00 C ATOM 973 O PHE A 88 -3.044 -10.916 -2.136 1.00 0.00 O ATOM 974 CB PHE A 88 -2.151 -8.502 -0.811 1.00 0.00 C ATOM 975 CG PHE A 88 -2.093 -7.669 0.437 1.00 0.00 C ATOM 976 CD1 PHE A 88 -1.049 -6.783 0.651 1.00 0.00 C ATOM 977 CD2 PHE A 88 -3.091 -7.765 1.395 1.00 0.00 C ATOM 978 CE1 PHE A 88 -1.001 -6.010 1.795 1.00 0.00 C ATOM 979 CE2 PHE A 88 -3.049 -6.995 2.540 1.00 0.00 C ATOM 980 CZ PHE A 88 -2.002 -6.117 2.741 1.00 0.00 C ATOM 0 H PHE A 88 0.369 -8.994 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.739 -10.355 0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.706 -7.939 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.195 -8.673 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.264 -6.696 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.911 -8.451 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.182 -5.323 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.834 -7.079 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.966 -5.515 3.637 1.00 0.00 H new ATOM 990 N SER A 89 -0.863 -11.314 -2.590 1.00 0.00 N ATOM 991 CA SER A 89 -1.134 -12.162 -3.756 1.00 0.00 C ATOM 992 C SER A 89 -2.207 -11.529 -4.645 1.00 0.00 C ATOM 993 O SER A 89 -3.221 -12.156 -4.962 1.00 0.00 O ATOM 994 CB SER A 89 -1.561 -13.565 -3.312 1.00 0.00 C ATOM 995 OG SER A 89 -0.528 -14.208 -2.586 1.00 0.00 O ATOM 0 H SER A 89 0.128 -11.203 -2.375 1.00 0.00 H new ATOM 0 HA SER A 89 -0.216 -12.250 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.456 -13.497 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.822 -14.162 -4.186 1.00 0.00 H new ATOM 0 HG SER A 89 -0.827 -15.101 -2.313 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.968 -10.279 -5.049 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.916 -9.546 -5.881 1.00 0.00 C ATOM 1003 C LEU A 90 -2.781 -9.930 -7.354 1.00 0.00 C ATOM 1004 O LEU A 90 -1.878 -10.681 -7.730 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.712 -8.038 -5.700 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.822 -7.535 -4.257 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.646 -6.027 -4.198 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.155 -7.944 -3.647 1.00 0.00 C ATOM 0 H LEU A 90 -1.125 -9.756 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.924 -9.812 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.729 -7.771 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.448 -7.512 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.023 -7.994 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.728 -5.691 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.665 -5.760 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.419 -5.547 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.214 -7.577 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.969 -7.517 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.238 -9.031 -3.649 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.684 -9.407 -8.184 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.670 -9.697 -9.616 1.00 0.00 C ATOM 1022 C LYS A 91 -4.373 -8.600 -10.417 1.00 0.00 C ATOM 1023 O LYS A 91 -5.280 -7.932 -9.914 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.332 -11.055 -9.897 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.842 -11.074 -9.684 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.209 -11.054 -8.206 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.717 -11.090 -8.001 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.322 -12.366 -8.483 1.00 0.00 N ATOM 0 H LYS A 91 -4.433 -8.781 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.628 -9.734 -9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.119 -11.344 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.877 -11.808 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.289 -10.213 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.263 -11.965 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.753 -11.909 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.800 -10.157 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.941 -10.961 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.173 -10.252 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.308 -12.427 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.297 -12.391 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.783 -13.171 -8.104 1.00 0.00 H new ATOM 1042 N GLY A 92 -3.943 -8.425 -11.667 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.538 -7.419 -12.535 1.00 0.00 C ATOM 1044 C GLY A 92 -3.905 -6.039 -12.405 1.00 0.00 C ATOM 1045 O GLY A 92 -4.213 -5.146 -13.196 1.00 0.00 O ATOM 0 H GLY A 92 -3.190 -8.964 -12.095 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.454 -7.751 -13.570 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.602 -7.343 -12.310 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.015 -5.857 -11.423 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.363 -4.567 -11.216 1.00 0.00 C ATOM 1051 C VAL A 93 -1.260 -4.341 -12.250 1.00 0.00 C ATOM 1052 O VAL A 93 -0.468 -5.242 -12.536 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.776 -4.441 -9.790 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.643 -5.432 -9.572 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.307 -3.016 -9.526 1.00 0.00 C ATOM 0 H VAL A 93 -2.734 -6.584 -10.765 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.129 -3.801 -11.337 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.567 -4.679 -9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.251 -5.320 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.017 -6.447 -9.705 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.152 -5.240 -10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.898 -2.949 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.537 -2.746 -10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.150 -2.332 -9.622 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.222 -3.134 -12.811 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.227 -2.785 -13.821 1.00 0.00 C ATOM 1067 C ASP A 94 0.860 -1.885 -13.233 1.00 0.00 C ATOM 1068 O ASP A 94 0.571 -0.966 -12.464 1.00 0.00 O ATOM 1069 CB ASP A 94 -0.908 -2.090 -15.004 1.00 0.00 C ATOM 1070 CG ASP A 94 -0.003 -1.983 -16.215 1.00 0.00 C ATOM 1071 OD1 ASP A 94 0.207 -3.009 -16.895 1.00 0.00 O ATOM 1072 OD2 ASP A 94 0.493 -0.872 -16.484 1.00 0.00 O ATOM 0 H ASP A 94 -1.870 -2.381 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 94 0.247 -3.703 -14.168 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.809 -2.641 -15.275 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.224 -1.092 -14.702 1.00 0.00 H new ATOM 1077 N PHE A 95 2.111 -2.158 -13.607 1.00 0.00 N ATOM 1078 CA PHE A 95 3.250 -1.377 -13.121 1.00 0.00 C ATOM 1079 C PHE A 95 3.541 -0.190 -14.039 1.00 0.00 C ATOM 1080 O PHE A 95 4.084 0.821 -13.590 1.00 0.00 O ATOM 1081 CB PHE A 95 4.493 -2.260 -12.976 1.00 0.00 C ATOM 1082 CG PHE A 95 4.300 -3.420 -12.041 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.453 -3.259 -10.674 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.963 -4.672 -12.530 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.273 -4.323 -9.812 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.782 -5.741 -11.673 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.938 -5.566 -10.312 1.00 0.00 C ATOM 0 H PHE A 95 2.361 -2.914 -14.245 1.00 0.00 H new ATOM 0 HA PHE A 95 2.987 -0.986 -12.138 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.776 -2.639 -13.958 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.322 -1.650 -12.618 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.716 -2.290 -10.277 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.840 -4.814 -13.594 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.394 -4.183 -8.748 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.519 -6.712 -12.067 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.798 -6.400 -9.640 1.00 0.00 H new ATOM 1097 N GLN A 96 3.187 -0.312 -15.324 1.00 0.00 N ATOM 1098 CA GLN A 96 3.386 0.779 -16.278 1.00 0.00 C ATOM 1099 C GLN A 96 2.598 2.013 -15.833 1.00 0.00 C ATOM 1100 O GLN A 96 3.010 3.148 -16.079 1.00 0.00 O ATOM 1101 CB GLN A 96 2.951 0.354 -17.682 1.00 0.00 C ATOM 1102 CG GLN A 96 3.556 1.204 -18.786 1.00 0.00 C ATOM 1103 CD GLN A 96 3.127 0.756 -20.171 1.00 0.00 C ATOM 1104 OE1 GLN A 96 3.777 -0.087 -20.791 1.00 0.00 O ATOM 1105 NE2 GLN A 96 2.028 1.317 -20.665 1.00 0.00 N ATOM 0 H GLN A 96 2.764 -1.150 -15.723 1.00 0.00 H new ATOM 0 HA GLN A 96 4.447 1.025 -16.307 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.231 -0.687 -17.841 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.864 0.406 -17.748 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.265 2.244 -18.639 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.643 1.164 -18.716 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.520 2.011 -20.118 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.693 1.053 -21.592 1.00 0.00 H new ATOM 1114 N LYS A 97 1.459 1.773 -15.173 1.00 0.00 N ATOM 1115 CA LYS A 97 0.607 2.842 -14.654 1.00 0.00 C ATOM 1116 C LYS A 97 1.324 3.624 -13.554 1.00 0.00 C ATOM 1117 O LYS A 97 1.171 4.843 -13.450 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.688 2.252 -14.086 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.513 1.478 -15.102 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.975 2.369 -16.245 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.922 1.632 -17.182 1.00 0.00 C ATOM 1122 NZ LYS A 97 -4.182 1.221 -16.498 1.00 0.00 N ATOM 0 H LYS A 97 1.105 0.835 -14.986 1.00 0.00 H new ATOM 0 HA LYS A 97 0.376 3.518 -15.477 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.440 1.591 -13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.296 3.060 -13.680 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.921 0.653 -15.499 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.380 1.039 -14.609 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.474 3.250 -15.842 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.109 2.722 -16.805 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.163 2.273 -18.030 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.422 0.749 -17.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.899 0.973 -17.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.995 0.396 -15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.532 2.007 -15.913 1.00 0.00 H new ATOM 1136 N PHE A 98 2.105 2.914 -12.736 1.00 0.00 N ATOM 1137 CA PHE A 98 2.841 3.535 -11.636 1.00 0.00 C ATOM 1138 C PHE A 98 4.308 3.776 -12.003 1.00 0.00 C ATOM 1139 O PHE A 98 5.193 3.683 -11.148 1.00 0.00 O ATOM 1140 CB PHE A 98 2.745 2.665 -10.379 1.00 0.00 C ATOM 1141 CG PHE A 98 1.332 2.400 -9.937 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.458 3.452 -9.703 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.878 1.104 -9.756 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.840 3.214 -9.298 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.420 0.860 -9.350 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.280 1.918 -9.121 1.00 0.00 C ATOM 0 H PHE A 98 2.243 1.907 -12.816 1.00 0.00 H new ATOM 0 HA PHE A 98 2.386 4.505 -11.437 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.243 1.714 -10.567 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.285 3.153 -9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.797 4.468 -9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.546 0.275 -9.934 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.511 4.041 -9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.762 -0.155 -9.212 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.295 1.730 -8.804 1.00 0.00 H new ATOM 1156 N CYS A 99 4.564 4.090 -13.276 1.00 0.00 N ATOM 1157 CA CYS A 99 5.919 4.358 -13.743 1.00 0.00 C ATOM 1158 C CYS A 99 6.265 5.833 -13.541 1.00 0.00 C ATOM 1159 O CYS A 99 6.394 6.596 -14.501 1.00 0.00 O ATOM 1160 CB CYS A 99 6.063 3.968 -15.218 1.00 0.00 C ATOM 1161 SG CYS A 99 6.414 2.215 -15.484 1.00 0.00 S ATOM 0 H CYS A 99 3.848 4.164 -13.999 1.00 0.00 H new ATOM 0 HA CYS A 99 6.615 3.756 -13.160 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.144 4.228 -15.743 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.863 4.560 -15.663 1.00 0.00 H new ATOM 0 HG CYS A 99 5.647 1.498 -14.718 1.00 0.00 H new ATOM 1167 N MET A 100 6.407 6.225 -12.275 1.00 0.00 N ATOM 1168 CA MET A 100 6.728 7.606 -11.924 1.00 0.00 C ATOM 1169 C MET A 100 7.332 7.684 -10.522 1.00 0.00 C ATOM 1170 O MET A 100 7.340 6.698 -9.782 1.00 0.00 O ATOM 1171 CB MET A 100 5.466 8.473 -12.000 1.00 0.00 C ATOM 1172 CG MET A 100 4.473 8.206 -10.877 1.00 0.00 C ATOM 1173 SD MET A 100 2.841 8.900 -11.206 1.00 0.00 S ATOM 1174 CE MET A 100 2.216 7.738 -12.418 1.00 0.00 C ATOM 0 H MET A 100 6.304 5.602 -11.474 1.00 0.00 H new ATOM 0 HA MET A 100 7.464 7.979 -12.636 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.755 9.524 -11.975 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.974 8.300 -12.957 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.382 7.130 -10.727 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.860 8.625 -9.948 1.00 0.00 H new ATOM 0 HE1 MET A 100 2.060 8.251 -13.367 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.937 6.932 -12.555 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.270 7.323 -12.070 1.00 0.00 H new ATOM 1184 N SER A 101 7.835 8.865 -10.164 1.00 0.00 N ATOM 1185 CA SER A 101 8.438 9.077 -8.852 1.00 0.00 C ATOM 1186 C SER A 101 7.374 9.106 -7.755 1.00 0.00 C ATOM 1187 O SER A 101 6.192 9.328 -8.026 1.00 0.00 O ATOM 1188 CB SER A 101 9.245 10.378 -8.834 1.00 0.00 C ATOM 1189 OG SER A 101 8.422 11.497 -9.126 1.00 0.00 O ATOM 0 H SER A 101 7.836 9.689 -10.766 1.00 0.00 H new ATOM 0 HA SER A 101 9.110 8.242 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.707 10.509 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.053 10.318 -9.563 1.00 0.00 H new ATOM 0 HG SER A 101 8.962 12.314 -9.106 1.00 0.00 H new ATOM 1195 N GLY A 102 7.808 8.876 -6.517 1.00 0.00 N ATOM 1196 CA GLY A 102 6.898 8.879 -5.385 1.00 0.00 C ATOM 1197 C GLY A 102 6.146 10.189 -5.247 1.00 0.00 C ATOM 1198 O GLY A 102 4.940 10.191 -4.994 1.00 0.00 O ATOM 0 H GLY A 102 8.781 8.686 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.183 8.064 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.460 8.688 -4.471 1.00 0.00 H new ATOM 1202 N ALA A 103 6.862 11.304 -5.411 1.00 0.00 N ATOM 1203 CA ALA A 103 6.255 12.632 -5.324 1.00 0.00 C ATOM 1204 C ALA A 103 5.062 12.749 -6.274 1.00 0.00 C ATOM 1205 O ALA A 103 4.054 13.375 -5.942 1.00 0.00 O ATOM 1206 CB ALA A 103 7.287 13.705 -5.640 1.00 0.00 C ATOM 0 H ALA A 103 7.863 11.312 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 103 5.896 12.777 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.822 14.688 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.108 13.642 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.671 13.555 -6.649 1.00 0.00 H new ATOM 1212 N ALA A 104 5.186 12.133 -7.453 1.00 0.00 N ATOM 1213 CA ALA A 104 4.120 12.151 -8.450 1.00 0.00 C ATOM 1214 C ALA A 104 2.948 11.278 -8.006 1.00 0.00 C ATOM 1215 O ALA A 104 1.791 11.690 -8.088 1.00 0.00 O ATOM 1216 CB ALA A 104 4.647 11.674 -9.796 1.00 0.00 C ATOM 0 H ALA A 104 6.017 11.615 -7.738 1.00 0.00 H new ATOM 0 HA ALA A 104 3.766 13.177 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.841 11.693 -10.530 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.452 12.331 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.025 10.656 -9.699 1.00 0.00 H new ATOM 1222 N LEU A 105 3.266 10.069 -7.532 1.00 0.00 N ATOM 1223 CA LEU A 105 2.254 9.122 -7.063 1.00 0.00 C ATOM 1224 C LEU A 105 1.409 9.728 -5.941 1.00 0.00 C ATOM 1225 O LEU A 105 0.182 9.620 -5.957 1.00 0.00 O ATOM 1226 CB LEU A 105 2.922 7.831 -6.581 1.00 0.00 C ATOM 1227 CG LEU A 105 1.987 6.631 -6.430 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.485 6.170 -7.792 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.692 5.493 -5.706 1.00 0.00 C ATOM 0 H LEU A 105 4.223 9.723 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 105 1.593 8.892 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.715 7.568 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.397 8.024 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 105 1.128 6.937 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.821 5.315 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.942 6.983 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.333 5.882 -8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.011 4.647 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.570 5.188 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.001 5.828 -4.716 1.00 0.00 H new ATOM 1241 N CYS A 106 2.069 10.360 -4.969 1.00 0.00 N ATOM 1242 CA CYS A 106 1.367 10.994 -3.850 1.00 0.00 C ATOM 1243 C CYS A 106 0.493 12.146 -4.349 1.00 0.00 C ATOM 1244 O CYS A 106 -0.620 12.348 -3.862 1.00 0.00 O ATOM 1245 CB CYS A 106 2.366 11.507 -2.809 1.00 0.00 C ATOM 1246 SG CYS A 106 3.375 10.210 -2.053 1.00 0.00 S ATOM 0 H CYS A 106 3.085 10.447 -4.933 1.00 0.00 H new ATOM 0 HA CYS A 106 0.727 10.246 -3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.025 12.236 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.820 12.032 -2.025 1.00 0.00 H new ATOM 0 HG CYS A 106 4.292 9.829 -2.892 1.00 0.00 H new ATOM 1252 N ALA A 107 1.012 12.895 -5.327 1.00 0.00 N ATOM 1253 CA ALA A 107 0.285 14.021 -5.913 1.00 0.00 C ATOM 1254 C ALA A 107 -0.967 13.546 -6.656 1.00 0.00 C ATOM 1255 O ALA A 107 -1.977 14.252 -6.694 1.00 0.00 O ATOM 1256 CB ALA A 107 1.192 14.804 -6.851 1.00 0.00 C ATOM 0 H ALA A 107 1.936 12.739 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.034 14.675 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.638 15.639 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.049 15.184 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.540 14.150 -7.651 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.891 12.348 -7.245 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.015 11.771 -7.986 1.00 0.00 C ATOM 1264 C LEU A 108 -3.235 11.555 -7.090 1.00 0.00 C ATOM 1265 O LEU A 108 -4.375 11.710 -7.534 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.606 10.439 -8.623 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.691 10.549 -9.847 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.314 9.165 -10.353 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.364 11.354 -10.951 1.00 0.00 C ATOM 0 H LEU A 108 -0.059 11.758 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.288 12.482 -8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.104 9.834 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.509 9.902 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 108 0.219 11.070 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.336 9.260 -11.223 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.209 8.620 -9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.217 8.621 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.698 11.420 -11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.290 10.862 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.586 12.357 -10.586 1.00 0.00 H new ATOM 1281 N GLY A 109 -2.991 11.201 -5.824 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.077 10.954 -4.892 1.00 0.00 C ATOM 1283 C GLY A 109 -4.761 9.620 -5.133 1.00 0.00 C ATOM 1284 O GLY A 109 -4.415 8.898 -6.069 1.00 0.00 O ATOM 0 H GLY A 109 -2.057 11.082 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.690 10.981 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.812 11.755 -4.975 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.736 9.296 -4.285 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.482 8.041 -4.407 1.00 0.00 C ATOM 1290 C LYS A 110 -7.252 7.988 -5.726 1.00 0.00 C ATOM 1291 O LYS A 110 -7.308 6.947 -6.375 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.452 7.876 -3.234 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.298 6.613 -3.316 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.041 6.353 -2.016 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.077 7.431 -1.733 1.00 0.00 C ATOM 1296 NZ LYS A 110 -10.686 7.275 -0.383 1.00 0.00 N ATOM 0 H LYS A 110 -6.029 9.884 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.762 7.223 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.885 7.864 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.111 8.743 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.014 6.706 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.659 5.761 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.532 5.381 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.328 6.308 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.610 8.413 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.859 7.391 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.386 8.028 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.154 6.349 -0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.943 7.339 0.342 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.850 9.117 -6.107 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.614 9.223 -7.349 1.00 0.00 C ATOM 1312 C GLU A 111 -7.805 8.716 -8.544 1.00 0.00 C ATOM 1313 O GLU A 111 -8.174 7.720 -9.170 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.028 10.681 -7.569 1.00 0.00 C ATOM 1315 CG GLU A 111 -9.757 10.932 -8.877 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.225 12.368 -9.014 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -11.265 12.715 -8.413 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.550 13.149 -9.717 1.00 0.00 O ATOM 0 H GLU A 111 -7.818 9.981 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.504 8.599 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.668 10.993 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.137 11.308 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.098 10.687 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.616 10.265 -8.944 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.701 9.396 -8.849 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.849 9.015 -9.974 1.00 0.00 C ATOM 1327 C CYS A 112 -5.213 7.640 -9.758 1.00 0.00 C ATOM 1328 O CYS A 112 -5.079 6.861 -10.703 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.762 10.067 -10.195 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.388 11.668 -10.755 1.00 0.00 S ATOM 0 H CYS A 112 -6.376 10.213 -8.333 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.479 8.957 -10.862 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.214 10.209 -9.264 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.050 9.690 -10.930 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.395 12.492 -10.912 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.830 7.340 -8.513 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.212 6.056 -8.185 1.00 0.00 C ATOM 1338 C PHE A 113 -5.171 4.899 -8.470 1.00 0.00 C ATOM 1339 O PHE A 113 -4.780 3.894 -9.066 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.785 6.032 -6.716 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.945 4.842 -6.352 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.535 3.671 -5.905 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.566 4.899 -6.452 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.763 2.578 -5.568 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.788 3.809 -6.115 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.387 2.646 -5.672 1.00 0.00 C ATOM 0 H PHE A 113 -4.938 7.970 -7.718 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.330 5.935 -8.814 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.227 6.941 -6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.676 6.043 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.610 3.613 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.093 5.806 -6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.234 1.670 -5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.287 3.866 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.781 1.792 -5.408 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.426 5.045 -8.034 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.445 4.021 -8.258 1.00 0.00 C ATOM 1358 C LEU A 114 -7.722 3.853 -9.752 1.00 0.00 C ATOM 1359 O LEU A 114 -8.086 2.768 -10.201 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.737 4.368 -7.511 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.679 4.195 -5.990 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -9.988 4.638 -5.355 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -8.372 2.749 -5.624 1.00 0.00 C ATOM 0 H LEU A 114 -6.758 5.863 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.066 3.076 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.999 5.402 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.542 3.745 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.876 4.823 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.930 4.509 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.167 5.688 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.806 4.035 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.335 2.648 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.151 2.099 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.409 2.463 -6.048 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.562 4.938 -10.514 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.759 4.896 -11.963 1.00 0.00 C ATOM 1377 C GLU A 115 -6.609 4.144 -12.646 1.00 0.00 C ATOM 1378 O GLU A 115 -6.765 3.634 -13.756 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.865 6.315 -12.529 1.00 0.00 C ATOM 1380 CG GLU A 115 -9.130 7.047 -12.105 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.129 8.505 -12.522 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -9.514 8.793 -13.676 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.745 9.360 -11.697 1.00 0.00 O ATOM 0 H GLU A 115 -7.297 5.854 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.689 4.365 -12.164 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.997 6.891 -12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.831 6.267 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.996 6.549 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.237 6.983 -11.022 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.455 4.083 -11.971 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.275 3.396 -12.499 1.00 0.00 C ATOM 1392 C LEU A 116 -4.310 1.896 -12.186 1.00 0.00 C ATOM 1393 O LEU A 116 -3.972 1.072 -13.037 1.00 0.00 O ATOM 1394 CB LEU A 116 -3.000 4.005 -11.904 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.709 5.450 -12.311 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.576 6.022 -11.472 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.366 5.533 -13.789 1.00 0.00 C ATOM 0 H LEU A 116 -5.315 4.505 -11.053 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.278 3.523 -13.582 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.069 3.959 -10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.152 3.386 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.607 6.042 -12.133 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.382 7.051 -11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.856 6.001 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.676 5.425 -11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.163 6.570 -14.058 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.484 4.926 -13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.205 5.163 -14.379 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.727 1.553 -10.966 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.786 0.153 -10.539 1.00 0.00 C ATOM 1411 C ALA A 117 -6.215 -0.389 -10.562 1.00 0.00 C ATOM 1412 O ALA A 117 -7.178 0.375 -10.518 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.188 -0.001 -9.148 1.00 0.00 C ATOM 0 H ALA A 117 -5.028 2.223 -10.258 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.200 -0.431 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.239 -1.046 -8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.147 0.323 -9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.749 0.610 -8.441 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.362 -1.728 -10.649 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.671 -2.397 -10.667 1.00 0.00 C ATOM 1421 C PRO A 118 -8.630 -1.899 -9.584 1.00 0.00 C ATOM 1422 O PRO A 118 -8.231 -1.224 -8.631 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.324 -3.862 -10.412 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.938 -4.028 -10.923 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.252 -2.694 -10.770 1.00 0.00 C ATOM 0 HA PRO A 118 -8.191 -2.208 -11.606 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.384 -4.102 -9.350 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.017 -4.527 -10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.410 -4.800 -10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.946 -4.340 -11.967 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.610 -2.675 -9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.621 -2.470 -11.630 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.902 -2.264 -9.744 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.959 -1.879 -8.809 1.00 0.00 C ATOM 1435 C ASP A 119 -10.787 -2.518 -7.424 1.00 0.00 C ATOM 1436 O ASP A 119 -11.433 -2.090 -6.467 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.327 -2.272 -9.382 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.561 -3.770 -9.385 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -11.923 -4.474 -10.198 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.386 -4.239 -8.575 1.00 0.00 O ATOM 0 H ASP A 119 -10.228 -2.834 -10.524 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.893 -0.798 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.111 -1.789 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.409 -1.895 -10.401 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.933 -3.545 -7.316 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.731 -4.207 -6.025 1.00 0.00 C ATOM 1447 C PHE A 120 -8.361 -3.883 -5.423 1.00 0.00 C ATOM 1448 O PHE A 120 -8.274 -3.320 -4.331 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.923 -5.722 -6.134 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.316 -6.141 -6.518 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.393 -5.854 -5.695 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.545 -6.833 -7.697 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.672 -6.249 -6.040 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -12.822 -7.229 -8.048 1.00 0.00 C ATOM 1455 CZ PHE A 120 -13.886 -6.938 -7.219 1.00 0.00 C ATOM 0 H PHE A 120 -9.385 -3.926 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.492 -3.814 -5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.222 -6.114 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.669 -6.179 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.231 -5.315 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.716 -7.065 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.503 -6.020 -5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -12.987 -7.766 -8.971 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.884 -7.248 -7.491 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.296 -4.243 -6.146 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.924 -4.011 -5.680 1.00 0.00 C ATOM 1467 C VAL A 121 -5.639 -2.527 -5.432 1.00 0.00 C ATOM 1468 O VAL A 121 -4.877 -2.183 -4.527 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.882 -4.564 -6.678 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.167 -6.022 -7.009 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.850 -3.726 -7.943 1.00 0.00 C ATOM 0 H VAL A 121 -7.357 -4.697 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.836 -4.546 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.901 -4.508 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.420 -6.388 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.128 -6.617 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.158 -6.107 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.109 -4.134 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.832 -3.743 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.585 -2.699 -7.692 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.248 -1.653 -6.242 1.00 0.00 N ATOM 1482 CA GLY A 122 -6.045 -0.218 -6.092 1.00 0.00 C ATOM 1483 C GLY A 122 -6.307 0.273 -4.676 1.00 0.00 C ATOM 1484 O GLY A 122 -5.615 1.168 -4.187 1.00 0.00 O ATOM 0 H GLY A 122 -6.878 -1.916 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.022 0.030 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.703 0.311 -6.782 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.309 -0.315 -4.017 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.663 0.061 -2.648 1.00 0.00 C ATOM 1490 C ASP A 123 -6.549 -0.308 -1.668 1.00 0.00 C ATOM 1491 O ASP A 123 -6.133 0.519 -0.856 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.966 -0.624 -2.226 1.00 0.00 C ATOM 1493 CG ASP A 123 -10.125 -0.286 -3.144 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.780 0.754 -2.919 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.376 -1.062 -4.090 1.00 0.00 O ATOM 0 H ASP A 123 -7.890 -1.055 -4.412 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.800 1.142 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.818 -1.704 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.215 -0.327 -1.207 1.00 0.00 H new ATOM 1500 N ILE A 124 -6.074 -1.553 -1.754 1.00 0.00 N ATOM 1501 CA ILE A 124 -5.011 -2.046 -0.874 1.00 0.00 C ATOM 1502 C ILE A 124 -3.740 -1.211 -1.001 1.00 0.00 C ATOM 1503 O ILE A 124 -3.241 -0.672 -0.012 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.653 -3.516 -1.184 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.885 -4.413 -1.051 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.539 -3.996 -0.263 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.614 -5.857 -1.406 1.00 0.00 C ATOM 0 H ILE A 124 -6.411 -2.241 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.400 -1.968 0.141 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.300 -3.574 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.255 -4.361 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.676 -4.030 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.298 -5.034 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.654 -3.377 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.867 -3.922 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.529 -6.438 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.273 -5.920 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.845 -6.256 -0.745 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.217 -1.125 -2.226 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.994 -0.373 -2.495 1.00 0.00 C ATOM 1521 C LEU A 125 -2.068 1.036 -1.910 1.00 0.00 C ATOM 1522 O LEU A 125 -1.190 1.431 -1.147 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.712 -0.316 -3.999 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.539 -1.674 -4.685 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.279 -1.493 -6.173 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.411 -2.465 -4.036 1.00 0.00 C ATOM 0 H LEU A 125 -3.625 -1.569 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.171 -0.895 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.529 0.216 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.808 0.272 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.464 -2.238 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.159 -2.469 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.121 -0.972 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.371 -0.908 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.305 -3.426 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.521 -1.906 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.641 -2.629 -2.983 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.116 1.791 -2.252 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.264 3.150 -1.729 1.00 0.00 C ATOM 1540 C TRP A 126 -3.497 3.138 -0.213 1.00 0.00 C ATOM 1541 O TRP A 126 -3.128 4.094 0.472 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.383 3.913 -2.452 1.00 0.00 C ATOM 1543 CG TRP A 126 -4.942 5.050 -1.648 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.569 6.360 -1.708 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -5.961 4.969 -0.645 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.292 7.100 -0.805 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.155 6.267 -0.141 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.730 3.922 -0.126 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.085 6.547 0.859 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.653 4.201 0.864 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -7.823 5.504 1.347 1.00 0.00 C ATOM 0 H TRP A 126 -3.863 1.490 -2.878 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.329 3.677 -1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.999 4.299 -3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.188 3.219 -2.695 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -3.814 6.758 -2.370 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.202 8.105 -0.653 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.605 2.914 -0.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.218 7.551 1.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.253 3.401 1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -8.552 5.690 2.121 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.101 2.071 0.316 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.334 1.975 1.756 1.00 0.00 C ATOM 1564 C GLU A 127 -3.001 2.070 2.501 1.00 0.00 C ATOM 1565 O GLU A 127 -2.844 2.892 3.407 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.051 0.665 2.111 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.753 0.704 3.463 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.552 -0.557 3.761 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.198 -1.091 2.833 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -6.536 -1.008 4.927 1.00 0.00 O ATOM 0 H GLU A 127 -4.433 1.272 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.976 2.802 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.784 0.440 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.326 -0.149 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.010 0.849 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.421 1.565 3.494 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.037 1.239 2.095 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.709 1.238 2.705 1.00 0.00 C ATOM 1579 C HIS A 128 0.109 2.433 2.208 1.00 0.00 C ATOM 1580 O HIS A 128 0.873 3.029 2.967 1.00 0.00 O ATOM 1581 CB HIS A 128 0.027 -0.068 2.389 1.00 0.00 C ATOM 1582 CG HIS A 128 1.301 -0.251 3.160 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.306 -1.106 2.759 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.732 0.316 4.314 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.297 -1.059 3.631 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.974 -0.203 4.582 1.00 0.00 N ATOM 0 H HIS A 128 -2.154 0.558 1.345 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.830 1.319 3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.636 -0.907 2.599 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.252 -0.098 1.323 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.198 1.041 4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.215 -1.625 3.575 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.554 0.035 5.387 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.059 2.771 0.925 1.00 0.00 N ATOM 1596 CA LEU A 129 0.651 3.895 0.314 1.00 0.00 C ATOM 1597 C LEU A 129 0.431 5.177 1.112 1.00 0.00 C ATOM 1598 O LEU A 129 1.387 5.889 1.428 1.00 0.00 O ATOM 1599 CB LEU A 129 0.181 4.099 -1.131 1.00 0.00 C ATOM 1600 CG LEU A 129 0.956 5.149 -1.931 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.421 4.754 -2.065 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.325 5.341 -3.302 1.00 0.00 C ATOM 0 H LEU A 129 -0.685 2.278 0.288 1.00 0.00 H new ATOM 0 HA LEU A 129 1.716 3.662 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.248 3.145 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.872 4.382 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 129 0.909 6.095 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.952 5.515 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.867 4.668 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.494 3.796 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.887 6.091 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.342 4.396 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.706 5.674 -3.185 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.831 5.464 1.436 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.168 6.658 2.204 1.00 0.00 C ATOM 1616 C GLU A 130 -0.589 6.551 3.611 1.00 0.00 C ATOM 1617 O GLU A 130 -0.070 7.526 4.154 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.689 6.849 2.257 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.133 8.145 2.926 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.992 8.114 4.439 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -3.561 7.197 5.072 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -2.315 9.006 4.991 1.00 0.00 O ATOM 0 H GLU A 130 -1.632 4.887 1.179 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.734 7.529 1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.083 6.824 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.131 6.008 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.544 8.972 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.174 8.342 2.668 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.678 5.351 4.191 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.151 5.098 5.528 1.00 0.00 C ATOM 1631 C ILE A 131 1.327 5.491 5.609 1.00 0.00 C ATOM 1632 O ILE A 131 1.740 6.164 6.551 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.328 3.612 5.926 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.798 3.319 6.235 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.551 3.255 7.116 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.112 1.843 6.354 1.00 0.00 C ATOM 0 H ILE A 131 -1.112 4.539 3.751 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.717 5.711 6.229 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.017 2.994 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.070 3.816 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.418 3.751 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.406 2.206 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.597 3.425 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.280 3.878 7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.172 1.713 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.872 1.343 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.519 1.409 7.159 1.00 0.00 H new ATOM 1648 N LEU A 132 2.110 5.077 4.608 1.00 0.00 N ATOM 1649 CA LEU A 132 3.539 5.399 4.553 1.00 0.00 C ATOM 1650 C LEU A 132 3.773 6.902 4.726 1.00 0.00 C ATOM 1651 O LEU A 132 4.747 7.319 5.356 1.00 0.00 O ATOM 1652 CB LEU A 132 4.135 4.938 3.217 1.00 0.00 C ATOM 1653 CG LEU A 132 4.150 3.423 2.992 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.668 3.095 1.600 1.00 0.00 C ATOM 1655 CD2 LEU A 132 4.996 2.733 4.053 1.00 0.00 C ATOM 0 H LEU A 132 1.777 4.517 3.823 1.00 0.00 H new ATOM 0 HA LEU A 132 4.032 4.874 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.572 5.403 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.158 5.309 3.148 1.00 0.00 H new ATOM 0 HG LEU A 132 3.128 3.054 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.671 2.014 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.022 3.557 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.682 3.479 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.995 1.657 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.018 3.108 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.582 2.939 5.040 1.00 0.00 H new ATOM 1667 N GLN A 133 2.868 7.705 4.159 1.00 0.00 N ATOM 1668 CA GLN A 133 2.954 9.164 4.238 1.00 0.00 C ATOM 1669 C GLN A 133 2.845 9.652 5.684 1.00 0.00 C ATOM 1670 O GLN A 133 3.731 10.346 6.183 1.00 0.00 O ATOM 1671 CB GLN A 133 1.843 9.803 3.395 1.00 0.00 C ATOM 1672 CG GLN A 133 1.830 9.344 1.945 1.00 0.00 C ATOM 1673 CD GLN A 133 0.605 9.820 1.185 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.042 10.875 1.483 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.186 9.041 0.192 1.00 0.00 N ATOM 0 H GLN A 133 2.061 7.364 3.636 1.00 0.00 H new ATOM 0 HA GLN A 133 3.928 9.462 3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.879 9.573 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.957 10.887 3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.727 9.711 1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.870 8.255 1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.682 8.175 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.631 9.309 -0.357 1.00 0.00 H new