USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.8!) USER MOD Set 1.3: A 67 LYS NZ :NH3+ 149:sc= -0.0334 (180deg=-0.317) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.67) USER MOD Single : A 71 GLN : amide:sc= 0.367 X(o=0.37,f=0) USER MOD Single : A 73 THR OG1 : rot -101:sc= 0.0389 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.714 X(o=-0.71,f=-1) USER MOD Single : A 82 MET CE :methyl 165:sc= -1.57 (180deg=-2.29) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=0.51) USER MOD Single : A 89 SER OG : rot -56:sc= 0.228 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.66) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0424) USER MOD Single : A 99 CYS SG : rot -30:sc= 0.297 USER MOD Single : A 100 MET CE :methyl -131:sc= -0.0858 (180deg=-0.277) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 72:sc= -4.01! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 116:sc= 0.0331 USER MOD Single : A 128 HIS : no HD1:sc= -0.724 K(o=-0.72,f=-0.1) USER MOD Single : A 133 GLN : amide:sc= -1.75 X(o=-1.8,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.379 -7.551 6.945 1.00 0.00 N ATOM 414 CA GLY A 55 6.741 -8.098 5.644 1.00 0.00 C ATOM 415 C GLY A 55 7.215 -7.030 4.664 1.00 0.00 C ATOM 416 O GLY A 55 7.683 -7.353 3.572 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.528 -8.841 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.881 -8.616 5.221 1.00 0.00 H new ATOM 420 N PHE A 56 7.094 -5.758 5.054 1.00 0.00 N ATOM 421 CA PHE A 56 7.519 -4.649 4.203 1.00 0.00 C ATOM 422 C PHE A 56 8.892 -4.142 4.627 1.00 0.00 C ATOM 423 O PHE A 56 9.790 -4.004 3.796 1.00 0.00 O ATOM 424 CB PHE A 56 6.500 -3.505 4.243 1.00 0.00 C ATOM 425 CG PHE A 56 6.823 -2.381 3.294 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.250 -2.647 2.000 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.704 -1.060 3.695 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.551 -1.619 1.129 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.003 -0.027 2.827 1.00 0.00 C ATOM 430 CZ PHE A 56 7.428 -0.308 1.542 1.00 0.00 C ATOM 0 H PHE A 56 6.705 -5.473 5.953 1.00 0.00 H new ATOM 0 HA PHE A 56 7.582 -5.019 3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.513 -3.900 4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.448 -3.110 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.348 -3.671 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.374 -0.835 4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.882 -1.841 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.905 0.998 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.663 0.497 0.862 1.00 0.00 H new ATOM 440 N THR A 57 9.047 -3.874 5.927 1.00 0.00 N ATOM 441 CA THR A 57 10.311 -3.379 6.474 1.00 0.00 C ATOM 442 C THR A 57 11.472 -4.316 6.135 1.00 0.00 C ATOM 443 O THR A 57 12.607 -3.864 5.970 1.00 0.00 O ATOM 444 CB THR A 57 10.229 -3.189 8.004 1.00 0.00 C ATOM 445 OG1 THR A 57 9.163 -2.287 8.331 1.00 0.00 O ATOM 446 CG2 THR A 57 11.540 -2.653 8.562 1.00 0.00 C ATOM 0 H THR A 57 8.309 -3.993 6.621 1.00 0.00 H new ATOM 0 HA THR A 57 10.496 -2.410 6.011 1.00 0.00 H new ATOM 0 HB THR A 57 10.035 -4.163 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.117 -2.174 9.303 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.452 -2.529 9.641 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.344 -3.356 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.764 -1.690 8.103 1.00 0.00 H new ATOM 454 N LYS A 58 11.189 -5.617 6.030 1.00 0.00 N ATOM 455 CA LYS A 58 12.221 -6.594 5.686 1.00 0.00 C ATOM 456 C LYS A 58 12.804 -6.290 4.306 1.00 0.00 C ATOM 457 O LYS A 58 13.988 -6.517 4.061 1.00 0.00 O ATOM 458 CB LYS A 58 11.659 -8.019 5.714 1.00 0.00 C ATOM 459 CG LYS A 58 10.533 -8.261 4.719 1.00 0.00 C ATOM 460 CD LYS A 58 10.064 -9.708 4.751 1.00 0.00 C ATOM 461 CE LYS A 58 9.101 -10.011 3.613 1.00 0.00 C ATOM 462 NZ LYS A 58 8.799 -11.466 3.510 1.00 0.00 N ATOM 0 H LYS A 58 10.261 -6.014 6.177 1.00 0.00 H new ATOM 0 HA LYS A 58 13.014 -6.522 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.467 -8.721 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.295 -8.235 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.696 -7.601 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.873 -8.009 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.926 -10.372 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.577 -9.912 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.174 -9.458 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.529 -9.662 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.140 -11.629 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.680 -11.992 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.367 -11.794 4.397 1.00 0.00 H new ATOM 476 N GLU A 59 11.959 -5.778 3.413 1.00 0.00 N ATOM 477 CA GLU A 59 12.381 -5.418 2.066 1.00 0.00 C ATOM 478 C GLU A 59 13.035 -4.037 2.066 1.00 0.00 C ATOM 479 O GLU A 59 14.018 -3.807 1.362 1.00 0.00 O ATOM 480 CB GLU A 59 11.179 -5.425 1.116 1.00 0.00 C ATOM 481 CG GLU A 59 11.502 -4.921 -0.282 1.00 0.00 C ATOM 482 CD GLU A 59 10.287 -4.859 -1.185 1.00 0.00 C ATOM 483 OE1 GLU A 59 9.436 -3.967 -0.978 1.00 0.00 O ATOM 484 OE2 GLU A 59 10.191 -5.696 -2.105 1.00 0.00 O ATOM 0 H GLU A 59 10.972 -5.603 3.603 1.00 0.00 H new ATOM 0 HA GLU A 59 13.109 -6.153 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.789 -6.440 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.387 -4.808 1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.946 -3.928 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.250 -5.573 -0.733 1.00 0.00 H new ATOM 491 N GLN A 60 12.471 -3.124 2.861 1.00 0.00 N ATOM 492 CA GLN A 60 12.984 -1.757 2.967 1.00 0.00 C ATOM 493 C GLN A 60 14.444 -1.734 3.421 1.00 0.00 C ATOM 494 O GLN A 60 15.198 -0.842 3.040 1.00 0.00 O ATOM 495 CB GLN A 60 12.132 -0.942 3.943 1.00 0.00 C ATOM 496 CG GLN A 60 10.645 -0.989 3.642 1.00 0.00 C ATOM 497 CD GLN A 60 9.859 0.056 4.411 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.394 -0.197 5.523 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.704 1.237 3.823 1.00 0.00 N ATOM 0 H GLN A 60 11.654 -3.309 3.443 1.00 0.00 H new ATOM 0 HA GLN A 60 12.929 -1.312 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.301 -1.311 4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.465 0.096 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.490 -0.841 2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.260 -1.979 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.106 1.404 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.183 1.977 4.294 1.00 0.00 H new ATOM 508 N GLN A 61 14.832 -2.706 4.246 1.00 0.00 N ATOM 509 CA GLN A 61 16.209 -2.787 4.740 1.00 0.00 C ATOM 510 C GLN A 61 17.135 -3.447 3.714 1.00 0.00 C ATOM 511 O GLN A 61 18.292 -3.049 3.573 1.00 0.00 O ATOM 512 CB GLN A 61 16.260 -3.557 6.064 1.00 0.00 C ATOM 513 CG GLN A 61 15.989 -5.049 5.919 1.00 0.00 C ATOM 514 CD GLN A 61 16.011 -5.790 7.243 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.691 -5.383 8.187 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.272 -6.892 7.318 1.00 0.00 N ATOM 0 H GLN A 61 14.217 -3.445 4.586 1.00 0.00 H new ATOM 0 HA GLN A 61 16.559 -1.768 4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.242 -3.418 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.529 -3.130 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.017 -5.191 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.734 -5.484 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.724 -7.194 6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.253 -7.436 8.181 1.00 0.00 H new ATOM 525 N ARG A 62 16.620 -4.449 3.004 1.00 0.00 N ATOM 526 CA ARG A 62 17.402 -5.167 1.995 1.00 0.00 C ATOM 527 C ARG A 62 17.667 -4.300 0.763 1.00 0.00 C ATOM 528 O ARG A 62 18.762 -4.333 0.199 1.00 0.00 O ATOM 529 CB ARG A 62 16.674 -6.448 1.578 1.00 0.00 C ATOM 530 CG ARG A 62 16.529 -7.459 2.703 1.00 0.00 C ATOM 531 CD ARG A 62 15.499 -8.525 2.363 1.00 0.00 C ATOM 532 NE ARG A 62 15.190 -9.379 3.511 1.00 0.00 N ATOM 533 CZ ARG A 62 14.057 -10.075 3.644 1.00 0.00 C ATOM 534 NH1 ARG A 62 13.117 -10.027 2.701 1.00 0.00 N ATOM 535 NH2 ARG A 62 13.863 -10.824 4.725 1.00 0.00 N ATOM 0 H ARG A 62 15.662 -4.784 3.108 1.00 0.00 H new ATOM 0 HA ARG A 62 18.363 -5.420 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.684 -6.188 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.215 -6.911 0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.492 -7.931 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.235 -6.946 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.585 -8.046 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.872 -9.140 1.544 1.00 0.00 H new ATOM 0 HE ARG A 62 15.883 -9.447 4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.259 -9.455 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.256 -10.562 2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.578 -10.867 5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.999 -11.356 4.828 1.00 0.00 H new ATOM 549 N LEU A 63 16.663 -3.527 0.351 1.00 0.00 N ATOM 550 CA LEU A 63 16.774 -2.660 -0.823 1.00 0.00 C ATOM 551 C LEU A 63 17.100 -1.213 -0.443 1.00 0.00 C ATOM 552 O LEU A 63 17.691 -0.481 -1.241 1.00 0.00 O ATOM 553 CB LEU A 63 15.464 -2.692 -1.615 1.00 0.00 C ATOM 554 CG LEU A 63 14.986 -4.086 -2.030 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.635 -4.003 -2.722 1.00 0.00 C ATOM 556 CD2 LEU A 63 16.008 -4.755 -2.935 1.00 0.00 C ATOM 0 H LEU A 63 15.757 -3.483 0.817 1.00 0.00 H new ATOM 0 HA LEU A 63 17.595 -3.039 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.684 -2.222 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.586 -2.085 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 63 14.875 -4.692 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.311 -5.003 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.904 -3.567 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.720 -3.379 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.650 -5.745 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.152 -4.150 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.956 -4.850 -2.405 1.00 0.00 H new ATOM 568 N GLY A 64 16.719 -0.804 0.767 1.00 0.00 N ATOM 569 CA GLY A 64 16.968 0.562 1.207 1.00 0.00 C ATOM 570 C GLY A 64 15.765 1.474 0.991 1.00 0.00 C ATOM 571 O GLY A 64 15.857 2.685 1.201 1.00 0.00 O ATOM 0 H GLY A 64 16.243 -1.393 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.231 0.557 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.826 0.963 0.667 1.00 0.00 H new ATOM 575 N ILE A 65 14.637 0.888 0.565 1.00 0.00 N ATOM 576 CA ILE A 65 13.408 1.644 0.317 1.00 0.00 C ATOM 577 C ILE A 65 12.995 2.450 1.551 1.00 0.00 C ATOM 578 O ILE A 65 12.795 1.886 2.628 1.00 0.00 O ATOM 579 CB ILE A 65 12.241 0.714 -0.087 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.625 -0.139 -1.299 1.00 0.00 C ATOM 581 CG2 ILE A 65 10.992 1.533 -0.387 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.660 -1.272 -1.575 1.00 0.00 C ATOM 0 H ILE A 65 14.554 -0.113 0.385 1.00 0.00 H new ATOM 0 HA ILE A 65 13.622 2.326 -0.506 1.00 0.00 H new ATOM 0 HB ILE A 65 12.028 0.046 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.682 0.501 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.621 -0.552 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.178 0.865 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.706 2.098 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.197 2.223 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.997 -1.832 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.621 -1.935 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.667 -0.866 -1.766 1.00 0.00 H new ATOM 594 N PRO A 66 12.870 3.784 1.407 1.00 0.00 N ATOM 595 CA PRO A 66 12.475 4.670 2.511 1.00 0.00 C ATOM 596 C PRO A 66 11.067 4.374 3.025 1.00 0.00 C ATOM 597 O PRO A 66 10.313 3.623 2.402 1.00 0.00 O ATOM 598 CB PRO A 66 12.522 6.075 1.893 1.00 0.00 C ATOM 599 CG PRO A 66 13.326 5.936 0.645 1.00 0.00 C ATOM 600 CD PRO A 66 13.112 4.532 0.162 1.00 0.00 C ATOM 0 HA PRO A 66 13.131 4.545 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.519 6.441 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.980 6.789 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.007 6.659 -0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.382 6.124 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.264 4.465 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.982 4.153 -0.373 1.00 0.00 H new ATOM 608 N LYS A 67 10.715 4.978 4.159 1.00 0.00 N ATOM 609 CA LYS A 67 9.393 4.787 4.756 1.00 0.00 C ATOM 610 C LYS A 67 8.462 5.957 4.413 1.00 0.00 C ATOM 611 O LYS A 67 7.612 6.341 5.221 1.00 0.00 O ATOM 612 CB LYS A 67 9.508 4.639 6.278 1.00 0.00 C ATOM 613 CG LYS A 67 10.256 3.392 6.730 1.00 0.00 C ATOM 614 CD LYS A 67 11.761 3.538 6.552 1.00 0.00 C ATOM 615 CE LYS A 67 12.518 2.408 7.233 1.00 0.00 C ATOM 616 NZ LYS A 67 12.192 1.079 6.645 1.00 0.00 N ATOM 0 H LYS A 67 11.326 5.604 4.683 1.00 0.00 H new ATOM 0 HA LYS A 67 8.967 3.873 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.013 5.517 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.506 4.623 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.032 3.194 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.905 2.531 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.003 3.550 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.086 4.494 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.590 2.588 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.279 2.402 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.020 0.454 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.393 0.658 7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.934 1.196 5.644 1.00 0.00 H new ATOM 630 N ASP A 68 8.621 6.514 3.209 1.00 0.00 N ATOM 631 CA ASP A 68 7.799 7.639 2.771 1.00 0.00 C ATOM 632 C ASP A 68 7.686 7.687 1.246 1.00 0.00 C ATOM 633 O ASP A 68 8.683 7.876 0.547 1.00 0.00 O ATOM 634 CB ASP A 68 8.379 8.954 3.293 1.00 0.00 C ATOM 635 CG ASP A 68 7.487 10.142 2.984 1.00 0.00 C ATOM 636 OD1 ASP A 68 6.344 10.176 3.489 1.00 0.00 O ATOM 637 OD2 ASP A 68 7.930 11.036 2.237 1.00 0.00 O ATOM 0 H ASP A 68 9.310 6.203 2.524 1.00 0.00 H new ATOM 0 HA ASP A 68 6.799 7.499 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.523 8.882 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.362 9.116 2.850 1.00 0.00 H new ATOM 642 N PRO A 69 6.456 7.521 0.716 1.00 0.00 N ATOM 643 CA PRO A 69 6.193 7.553 -0.729 1.00 0.00 C ATOM 644 C PRO A 69 6.553 8.896 -1.358 1.00 0.00 C ATOM 645 O PRO A 69 7.091 8.939 -2.459 1.00 0.00 O ATOM 646 CB PRO A 69 4.685 7.293 -0.833 1.00 0.00 C ATOM 647 CG PRO A 69 4.144 7.643 0.507 1.00 0.00 C ATOM 648 CD PRO A 69 5.224 7.292 1.486 1.00 0.00 C ATOM 0 HA PRO A 69 6.797 6.821 -1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.232 7.903 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.480 6.252 -1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.894 8.702 0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.230 7.088 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.182 7.920 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.144 6.258 1.822 1.00 0.00 H new ATOM 656 N ARG A 70 6.244 9.995 -0.666 1.00 0.00 N ATOM 657 CA ARG A 70 6.572 11.328 -1.174 1.00 0.00 C ATOM 658 C ARG A 70 8.066 11.426 -1.494 1.00 0.00 C ATOM 659 O ARG A 70 8.460 12.078 -2.463 1.00 0.00 O ATOM 660 CB ARG A 70 6.174 12.402 -0.157 1.00 0.00 C ATOM 661 CG ARG A 70 4.693 12.391 0.190 1.00 0.00 C ATOM 662 CD ARG A 70 4.454 12.821 1.628 1.00 0.00 C ATOM 663 NE ARG A 70 3.027 12.893 1.949 1.00 0.00 N ATOM 664 CZ ARG A 70 2.536 13.460 3.054 1.00 0.00 C ATOM 665 NH1 ARG A 70 3.347 14.023 3.945 1.00 0.00 N ATOM 666 NH2 ARG A 70 1.224 13.465 3.268 1.00 0.00 N ATOM 0 H ARG A 70 5.772 9.989 0.238 1.00 0.00 H new ATOM 0 HA ARG A 70 6.009 11.495 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.754 12.260 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.439 13.382 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.155 13.058 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.290 11.390 0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.942 12.118 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.913 13.795 1.796 1.00 0.00 H new ATOM 0 HE ARG A 70 2.367 12.485 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.355 14.025 3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.961 14.453 4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.595 13.036 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.846 13.897 4.111 1.00 0.00 H new ATOM 680 N GLN A 71 8.891 10.769 -0.672 1.00 0.00 N ATOM 681 CA GLN A 71 10.340 10.751 -0.869 1.00 0.00 C ATOM 682 C GLN A 71 10.782 9.442 -1.538 1.00 0.00 C ATOM 683 O GLN A 71 11.749 8.807 -1.111 1.00 0.00 O ATOM 684 CB GLN A 71 11.060 10.934 0.471 1.00 0.00 C ATOM 685 CG GLN A 71 10.772 12.268 1.142 1.00 0.00 C ATOM 686 CD GLN A 71 11.311 12.337 2.559 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.444 12.763 2.785 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.501 11.913 3.524 1.00 0.00 N ATOM 0 H GLN A 71 8.575 10.240 0.141 1.00 0.00 H new ATOM 0 HA GLN A 71 10.607 11.578 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.767 10.128 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.134 10.842 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.212 13.071 0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.695 12.437 1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.570 11.568 3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.811 11.933 4.496 1.00 0.00 H new ATOM 697 N TRP A 72 10.061 9.051 -2.593 1.00 0.00 N ATOM 698 CA TRP A 72 10.363 7.830 -3.342 1.00 0.00 C ATOM 699 C TRP A 72 10.619 8.154 -4.813 1.00 0.00 C ATOM 700 O TRP A 72 10.452 9.297 -5.243 1.00 0.00 O ATOM 701 CB TRP A 72 9.187 6.853 -3.263 1.00 0.00 C ATOM 702 CG TRP A 72 9.241 5.881 -2.126 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.111 5.871 -1.074 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.370 4.763 -1.939 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.830 4.812 -0.244 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.764 4.117 -0.755 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.291 4.248 -2.663 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.116 2.981 -0.279 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.650 3.120 -2.191 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.063 2.499 -1.008 1.00 0.00 C ATOM 0 H TRP A 72 9.257 9.568 -2.949 1.00 0.00 H new ATOM 0 HA TRP A 72 11.253 7.380 -2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.263 7.427 -3.186 1.00 0.00 H new ATOM 0 HB3 TRP A 72 9.137 6.293 -4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.903 6.589 -0.917 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.333 4.581 0.613 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.964 4.724 -3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.433 2.497 0.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.817 2.711 -2.744 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.540 1.620 -0.662 1.00 0.00 H new ATOM 721 N THR A 73 11.026 7.143 -5.582 1.00 0.00 N ATOM 722 CA THR A 73 11.257 7.319 -7.011 1.00 0.00 C ATOM 723 C THR A 73 10.585 6.186 -7.793 1.00 0.00 C ATOM 724 O THR A 73 9.950 5.314 -7.199 1.00 0.00 O ATOM 725 CB THR A 73 12.765 7.385 -7.346 1.00 0.00 C ATOM 726 OG1 THR A 73 12.954 7.699 -8.732 1.00 0.00 O ATOM 727 CG2 THR A 73 13.456 6.066 -7.025 1.00 0.00 C ATOM 0 H THR A 73 11.201 6.199 -5.238 1.00 0.00 H new ATOM 0 HA THR A 73 10.816 8.271 -7.306 1.00 0.00 H new ATOM 0 HB THR A 73 13.208 8.169 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.168 6.880 -9.227 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.515 6.141 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.344 5.846 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.004 5.266 -7.611 1.00 0.00 H new ATOM 735 N GLU A 74 10.724 6.197 -9.120 1.00 0.00 N ATOM 736 CA GLU A 74 10.109 5.170 -9.968 1.00 0.00 C ATOM 737 C GLU A 74 10.417 3.758 -9.467 1.00 0.00 C ATOM 738 O GLU A 74 9.531 2.902 -9.439 1.00 0.00 O ATOM 739 CB GLU A 74 10.574 5.323 -11.420 1.00 0.00 C ATOM 740 CG GLU A 74 10.180 6.649 -12.050 1.00 0.00 C ATOM 741 CD GLU A 74 10.460 6.697 -13.539 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.594 7.058 -13.920 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.544 6.377 -14.326 1.00 0.00 O ATOM 0 H GLU A 74 11.255 6.902 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 74 9.030 5.314 -9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.659 5.221 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.156 4.510 -12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.118 6.826 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.722 7.456 -11.557 1.00 0.00 H new ATOM 750 N THR A 75 11.669 3.520 -9.074 1.00 0.00 N ATOM 751 CA THR A 75 12.080 2.207 -8.580 1.00 0.00 C ATOM 752 C THR A 75 11.355 1.842 -7.283 1.00 0.00 C ATOM 753 O THR A 75 10.801 0.750 -7.167 1.00 0.00 O ATOM 754 CB THR A 75 13.603 2.140 -8.344 1.00 0.00 C ATOM 755 OG1 THR A 75 14.304 2.619 -9.500 1.00 0.00 O ATOM 756 CG2 THR A 75 14.042 0.715 -8.037 1.00 0.00 C ATOM 0 H THR A 75 12.413 4.217 -9.088 1.00 0.00 H new ATOM 0 HA THR A 75 11.809 1.488 -9.353 1.00 0.00 H new ATOM 0 HB THR A 75 13.841 2.772 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.270 2.574 -9.339 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.120 0.693 -7.874 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.533 0.363 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.789 0.067 -8.876 1.00 0.00 H new ATOM 764 N HIS A 76 11.365 2.758 -6.310 1.00 0.00 N ATOM 765 CA HIS A 76 10.705 2.521 -5.022 1.00 0.00 C ATOM 766 C HIS A 76 9.203 2.290 -5.204 1.00 0.00 C ATOM 767 O HIS A 76 8.619 1.427 -4.549 1.00 0.00 O ATOM 768 CB HIS A 76 10.937 3.693 -4.062 1.00 0.00 C ATOM 769 CG HIS A 76 12.366 3.851 -3.635 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.969 5.078 -3.454 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.312 2.925 -3.345 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.222 4.900 -3.074 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.454 3.603 -3.001 1.00 0.00 N ATOM 0 H HIS A 76 11.821 3.667 -6.389 1.00 0.00 H new ATOM 0 HA HIS A 76 11.146 1.622 -4.592 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.607 4.614 -4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.316 3.554 -3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.190 1.852 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.935 5.683 -2.860 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.339 3.174 -2.732 1.00 0.00 H new ATOM 782 N VAL A 77 8.591 3.070 -6.096 1.00 0.00 N ATOM 783 CA VAL A 77 7.163 2.955 -6.385 1.00 0.00 C ATOM 784 C VAL A 77 6.831 1.588 -6.980 1.00 0.00 C ATOM 785 O VAL A 77 5.987 0.858 -6.461 1.00 0.00 O ATOM 786 CB VAL A 77 6.708 4.054 -7.372 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.277 3.811 -7.837 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.835 5.426 -6.725 1.00 0.00 C ATOM 0 H VAL A 77 9.068 3.794 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 77 6.633 3.075 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 77 7.356 4.018 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.981 4.598 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.216 2.845 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.609 3.816 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.512 6.192 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.210 5.467 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.874 5.603 -6.448 1.00 0.00 H new ATOM 798 N ARG A 78 7.518 1.254 -8.075 1.00 0.00 N ATOM 799 CA ARG A 78 7.312 -0.010 -8.778 1.00 0.00 C ATOM 800 C ARG A 78 7.707 -1.207 -7.916 1.00 0.00 C ATOM 801 O ARG A 78 6.944 -2.168 -7.809 1.00 0.00 O ATOM 802 CB ARG A 78 8.106 -0.010 -10.084 1.00 0.00 C ATOM 803 CG ARG A 78 7.948 -1.280 -10.903 1.00 0.00 C ATOM 804 CD ARG A 78 8.720 -1.191 -12.208 1.00 0.00 C ATOM 805 NE ARG A 78 8.123 -0.227 -13.134 1.00 0.00 N ATOM 806 CZ ARG A 78 7.398 -0.556 -14.209 1.00 0.00 C ATOM 807 NH1 ARG A 78 7.154 -1.832 -14.504 1.00 0.00 N ATOM 808 NH2 ARG A 78 6.908 0.399 -14.991 1.00 0.00 N ATOM 0 H ARG A 78 8.230 1.851 -8.496 1.00 0.00 H new ATOM 0 HA ARG A 78 6.249 -0.104 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.792 0.841 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.162 0.134 -9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.301 -2.134 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.892 -1.452 -11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.751 -0.904 -12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.751 -2.174 -12.678 1.00 0.00 H new ATOM 0 HE ARG A 78 8.270 0.765 -12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.522 -2.573 -13.907 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.600 -2.068 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.085 1.379 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.355 0.152 -15.812 1.00 0.00 H new ATOM 822 N ASP A 79 8.894 -1.154 -7.309 1.00 0.00 N ATOM 823 CA ASP A 79 9.361 -2.251 -6.462 1.00 0.00 C ATOM 824 C ASP A 79 8.355 -2.533 -5.344 1.00 0.00 C ATOM 825 O ASP A 79 8.100 -3.691 -5.009 1.00 0.00 O ATOM 826 CB ASP A 79 10.739 -1.940 -5.870 1.00 0.00 C ATOM 827 CG ASP A 79 11.317 -3.114 -5.101 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.919 -3.314 -3.933 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.166 -3.834 -5.667 1.00 0.00 O ATOM 0 H ASP A 79 9.543 -0.371 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 79 9.450 -3.141 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.422 -1.663 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.661 -1.078 -5.207 1.00 0.00 H new ATOM 834 N TRP A 80 7.790 -1.466 -4.771 1.00 0.00 N ATOM 835 CA TRP A 80 6.805 -1.615 -3.707 1.00 0.00 C ATOM 836 C TRP A 80 5.547 -2.276 -4.268 1.00 0.00 C ATOM 837 O TRP A 80 5.149 -3.345 -3.810 1.00 0.00 O ATOM 838 CB TRP A 80 6.476 -0.262 -3.061 1.00 0.00 C ATOM 839 CG TRP A 80 5.226 -0.282 -2.232 1.00 0.00 C ATOM 840 CD1 TRP A 80 5.037 -0.931 -1.048 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.989 0.373 -2.534 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.758 -0.721 -0.594 1.00 0.00 N ATOM 843 CE2 TRP A 80 3.094 0.078 -1.488 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.551 1.181 -3.587 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.789 0.564 -1.466 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.257 1.663 -3.563 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.389 1.354 -2.509 1.00 0.00 C ATOM 0 H TRP A 80 7.998 -0.501 -5.026 1.00 0.00 H new ATOM 0 HA TRP A 80 7.223 -2.251 -2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.313 0.045 -2.434 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.371 0.489 -3.844 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.784 -1.524 -0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.366 -1.098 0.269 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.213 1.424 -4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.117 0.326 -0.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.909 2.289 -4.371 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.383 1.747 -2.519 1.00 0.00 H new ATOM 858 N VAL A 81 4.912 -1.610 -5.243 1.00 0.00 N ATOM 859 CA VAL A 81 3.721 -2.148 -5.908 1.00 0.00 C ATOM 860 C VAL A 81 3.873 -3.648 -6.170 1.00 0.00 C ATOM 861 O VAL A 81 3.044 -4.447 -5.736 1.00 0.00 O ATOM 862 CB VAL A 81 3.448 -1.418 -7.245 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.364 -2.125 -8.048 1.00 0.00 C ATOM 864 CG2 VAL A 81 3.058 0.030 -6.993 1.00 0.00 C ATOM 0 H VAL A 81 5.206 -0.696 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 81 2.876 -1.985 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 81 4.368 -1.437 -7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.195 -1.589 -8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.680 -3.145 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.440 -2.148 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.870 0.527 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.156 0.063 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.868 0.540 -6.471 1.00 0.00 H new ATOM 874 N MET A 82 4.949 -4.017 -6.873 1.00 0.00 N ATOM 875 CA MET A 82 5.230 -5.419 -7.186 1.00 0.00 C ATOM 876 C MET A 82 5.283 -6.263 -5.915 1.00 0.00 C ATOM 877 O MET A 82 4.685 -7.339 -5.847 1.00 0.00 O ATOM 878 CB MET A 82 6.554 -5.536 -7.944 1.00 0.00 C ATOM 879 CG MET A 82 6.483 -5.002 -9.362 1.00 0.00 C ATOM 880 SD MET A 82 8.074 -5.022 -10.203 1.00 0.00 S ATOM 881 CE MET A 82 7.583 -4.441 -11.822 1.00 0.00 C ATOM 0 H MET A 82 5.640 -3.361 -7.236 1.00 0.00 H new ATOM 0 HA MET A 82 4.422 -5.794 -7.815 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.326 -4.995 -7.398 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.857 -6.583 -7.972 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.769 -5.596 -9.933 1.00 0.00 H new ATOM 0 HG3 MET A 82 6.102 -3.981 -9.341 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.467 -4.141 -12.385 1.00 0.00 H new ATOM 0 HE2 MET A 82 7.068 -5.240 -12.355 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.914 -3.587 -11.715 1.00 0.00 H new ATOM 891 N TRP A 83 6.006 -5.764 -4.912 1.00 0.00 N ATOM 892 CA TRP A 83 6.135 -6.448 -3.627 1.00 0.00 C ATOM 893 C TRP A 83 4.761 -6.675 -2.987 1.00 0.00 C ATOM 894 O TRP A 83 4.529 -7.704 -2.351 1.00 0.00 O ATOM 895 CB TRP A 83 7.043 -5.630 -2.695 1.00 0.00 C ATOM 896 CG TRP A 83 6.903 -5.971 -1.242 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.672 -6.840 -0.524 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.933 -5.444 -0.330 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.241 -6.884 0.779 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.171 -6.037 0.921 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.885 -4.527 -0.453 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.398 -5.745 2.041 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.119 -4.237 0.658 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.380 -4.844 1.892 1.00 0.00 C ATOM 0 H TRP A 83 6.515 -4.882 -4.967 1.00 0.00 H new ATOM 0 HA TRP A 83 6.587 -7.426 -3.793 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.080 -5.781 -2.993 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.823 -4.571 -2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.499 -7.410 -0.922 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.650 -7.453 1.520 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.678 -4.053 -1.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.595 -6.213 2.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.306 -3.531 0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.765 -4.596 2.744 1.00 0.00 H new ATOM 915 N ALA A 84 3.851 -5.713 -3.169 1.00 0.00 N ATOM 916 CA ALA A 84 2.500 -5.809 -2.617 1.00 0.00 C ATOM 917 C ALA A 84 1.638 -6.800 -3.407 1.00 0.00 C ATOM 918 O ALA A 84 0.613 -7.269 -2.914 1.00 0.00 O ATOM 919 CB ALA A 84 1.843 -4.437 -2.589 1.00 0.00 C ATOM 0 H ALA A 84 4.028 -4.858 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 84 2.582 -6.183 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.838 -4.523 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.434 -3.763 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.786 -4.040 -3.603 1.00 0.00 H new ATOM 925 N VAL A 85 2.064 -7.116 -4.633 1.00 0.00 N ATOM 926 CA VAL A 85 1.339 -8.056 -5.485 1.00 0.00 C ATOM 927 C VAL A 85 1.675 -9.497 -5.099 1.00 0.00 C ATOM 928 O VAL A 85 0.826 -10.383 -5.183 1.00 0.00 O ATOM 929 CB VAL A 85 1.663 -7.837 -6.979 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.964 -8.875 -7.845 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.269 -6.434 -7.409 1.00 0.00 C ATOM 0 H VAL A 85 2.909 -6.733 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 85 0.275 -7.875 -5.333 1.00 0.00 H new ATOM 0 HB VAL A 85 2.739 -7.952 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.208 -8.699 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.297 -9.872 -7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.114 -8.798 -7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.504 -6.297 -8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.199 -6.293 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.820 -5.704 -6.817 1.00 0.00 H new ATOM 941 N ASN A 86 2.924 -9.721 -4.679 1.00 0.00 N ATOM 942 CA ASN A 86 3.377 -11.050 -4.270 1.00 0.00 C ATOM 943 C ASN A 86 3.009 -11.335 -2.811 1.00 0.00 C ATOM 944 O ASN A 86 2.732 -12.480 -2.449 1.00 0.00 O ATOM 945 CB ASN A 86 4.892 -11.178 -4.459 1.00 0.00 C ATOM 946 CG ASN A 86 5.304 -11.083 -5.916 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.594 -9.998 -6.421 1.00 0.00 O ATOM 948 ND2 ASN A 86 5.331 -12.221 -6.602 1.00 0.00 N ATOM 0 H ASN A 86 3.639 -8.996 -4.614 1.00 0.00 H new ATOM 0 HA ASN A 86 2.874 -11.783 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.394 -10.395 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.227 -12.132 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.600 -12.217 -7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.083 -13.098 -6.144 1.00 0.00 H new ATOM 955 N GLU A 87 3.004 -10.288 -1.980 1.00 0.00 N ATOM 956 CA GLU A 87 2.668 -10.427 -0.562 1.00 0.00 C ATOM 957 C GLU A 87 1.161 -10.603 -0.368 1.00 0.00 C ATOM 958 O GLU A 87 0.727 -11.405 0.459 1.00 0.00 O ATOM 959 CB GLU A 87 3.154 -9.205 0.225 1.00 0.00 C ATOM 960 CG GLU A 87 4.667 -9.047 0.245 1.00 0.00 C ATOM 961 CD GLU A 87 5.337 -9.917 1.293 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.553 -11.117 1.021 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.648 -9.396 2.386 1.00 0.00 O ATOM 0 H GLU A 87 3.229 -9.335 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 87 3.171 -11.318 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.710 -8.307 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.792 -9.278 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.067 -9.298 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.916 -8.003 0.434 1.00 0.00 H new ATOM 970 N PHE A 88 0.372 -9.848 -1.136 1.00 0.00 N ATOM 971 CA PHE A 88 -1.087 -9.920 -1.048 1.00 0.00 C ATOM 972 C PHE A 88 -1.691 -10.735 -2.198 1.00 0.00 C ATOM 973 O PHE A 88 -2.915 -10.808 -2.328 1.00 0.00 O ATOM 974 CB PHE A 88 -1.691 -8.512 -1.050 1.00 0.00 C ATOM 975 CG PHE A 88 -1.393 -7.718 0.192 1.00 0.00 C ATOM 976 CD1 PHE A 88 -2.213 -7.815 1.304 1.00 0.00 C ATOM 977 CD2 PHE A 88 -0.296 -6.871 0.244 1.00 0.00 C ATOM 978 CE1 PHE A 88 -1.947 -7.085 2.445 1.00 0.00 C ATOM 979 CE2 PHE A 88 -0.025 -6.138 1.383 1.00 0.00 C ATOM 980 CZ PHE A 88 -0.852 -6.245 2.484 1.00 0.00 C ATOM 0 H PHE A 88 0.719 -9.181 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.328 -10.424 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.315 -7.967 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.772 -8.591 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.071 -8.470 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.353 -6.784 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.594 -7.171 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.832 -5.482 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.642 -5.672 3.375 1.00 0.00 H new ATOM 990 N SER A 89 -0.833 -11.357 -3.022 1.00 0.00 N ATOM 991 CA SER A 89 -1.288 -12.149 -4.168 1.00 0.00 C ATOM 992 C SER A 89 -2.364 -11.394 -4.957 1.00 0.00 C ATOM 993 O SER A 89 -3.455 -11.915 -5.202 1.00 0.00 O ATOM 994 CB SER A 89 -1.813 -13.511 -3.699 1.00 0.00 C ATOM 995 OG SER A 89 -2.111 -14.354 -4.799 1.00 0.00 O ATOM 0 H SER A 89 0.181 -11.325 -2.913 1.00 0.00 H new ATOM 0 HA SER A 89 -0.439 -12.316 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.070 -13.990 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.708 -13.369 -3.093 1.00 0.00 H new ATOM 0 HG SER A 89 -2.744 -13.902 -5.395 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.041 -10.162 -5.356 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.976 -9.328 -6.103 1.00 0.00 C ATOM 1003 C LEU A 90 -2.964 -9.683 -7.590 1.00 0.00 C ATOM 1004 O LEU A 90 -2.094 -10.425 -8.052 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.639 -7.846 -5.904 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.617 -7.375 -4.444 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.354 -5.879 -4.364 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.926 -7.724 -3.748 1.00 0.00 C ATOM 0 H LEU A 90 -1.139 -9.723 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.979 -9.516 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.664 -7.648 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.366 -7.247 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.806 -7.893 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.343 -5.567 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.390 -5.654 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.141 -5.342 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.891 -7.382 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.753 -7.236 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.072 -8.804 -3.768 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.930 -9.147 -8.336 1.00 0.00 N ATOM 1021 CA LYS A 91 -4.029 -9.418 -9.770 1.00 0.00 C ATOM 1022 C LYS A 91 -4.704 -8.268 -10.519 1.00 0.00 C ATOM 1023 O LYS A 91 -5.563 -7.574 -9.972 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.794 -10.727 -10.020 1.00 0.00 C ATOM 1025 CG LYS A 91 -6.197 -10.759 -9.423 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.173 -11.072 -7.934 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.579 -11.203 -7.368 1.00 0.00 C ATOM 1028 NZ LYS A 91 -7.565 -11.420 -5.894 1.00 0.00 N ATOM 0 H LYS A 91 -4.652 -8.525 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.013 -9.517 -10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.866 -10.892 -11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.218 -11.555 -9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.682 -9.796 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.795 -11.508 -9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.624 -11.998 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.639 -10.283 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.148 -10.302 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.090 -12.035 -7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.541 -11.504 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.043 -12.293 -5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.100 -10.614 -5.429 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.301 -8.077 -11.778 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.871 -7.021 -12.601 1.00 0.00 C ATOM 1044 C GLY A 92 -4.160 -5.679 -12.462 1.00 0.00 C ATOM 1045 O GLY A 92 -4.457 -4.746 -13.210 1.00 0.00 O ATOM 0 H GLY A 92 -3.587 -8.638 -12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.840 -7.331 -13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.921 -6.894 -12.337 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.221 -5.575 -11.517 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.490 -4.328 -11.301 1.00 0.00 C ATOM 1051 C VAL A 93 -1.422 -4.125 -12.373 1.00 0.00 C ATOM 1052 O VAL A 93 -0.680 -5.050 -12.711 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.838 -4.282 -9.898 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.776 -5.362 -9.747 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.254 -2.905 -9.622 1.00 0.00 C ATOM 0 H VAL A 93 -2.952 -6.336 -10.894 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.217 -3.519 -11.367 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.616 -4.478 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.337 -5.304 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.232 -6.342 -9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.002 -5.214 -10.496 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.801 -2.894 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.496 -2.675 -10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.047 -2.158 -9.667 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.358 -2.908 -12.907 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.396 -2.573 -13.951 1.00 0.00 C ATOM 1067 C ASP A 94 0.784 -1.783 -13.390 1.00 0.00 C ATOM 1068 O ASP A 94 0.599 -0.808 -12.657 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.080 -1.763 -15.054 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.162 -2.550 -15.770 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -3.311 -2.564 -15.278 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -1.861 -3.150 -16.823 1.00 0.00 O ATOM 0 H ASP A 94 -1.964 -2.135 -12.632 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.015 -3.507 -14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.517 -0.863 -14.621 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.333 -1.438 -15.778 1.00 0.00 H new ATOM 1077 N PHE A 95 1.997 -2.208 -13.746 1.00 0.00 N ATOM 1078 CA PHE A 95 3.214 -1.534 -13.295 1.00 0.00 C ATOM 1079 C PHE A 95 3.542 -0.364 -14.222 1.00 0.00 C ATOM 1080 O PHE A 95 4.153 0.619 -13.797 1.00 0.00 O ATOM 1081 CB PHE A 95 4.384 -2.517 -13.218 1.00 0.00 C ATOM 1082 CG PHE A 95 4.071 -3.747 -12.410 1.00 0.00 C ATOM 1083 CD1 PHE A 95 3.753 -3.644 -11.064 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.083 -5.002 -12.998 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.455 -4.770 -10.321 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.784 -6.131 -12.259 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.470 -6.014 -10.919 1.00 0.00 C ATOM 0 H PHE A 95 2.162 -3.016 -14.346 1.00 0.00 H new ATOM 0 HA PHE A 95 3.043 -1.142 -12.292 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.667 -2.815 -14.228 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.246 -2.013 -12.781 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.738 -2.673 -10.591 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.329 -5.099 -14.045 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.211 -4.677 -9.273 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.796 -7.103 -12.729 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.236 -6.895 -10.340 1.00 0.00 H new ATOM 1097 N GLN A 96 3.137 -0.479 -15.491 1.00 0.00 N ATOM 1098 CA GLN A 96 3.336 0.593 -16.467 1.00 0.00 C ATOM 1099 C GLN A 96 2.602 1.854 -16.004 1.00 0.00 C ATOM 1100 O GLN A 96 3.052 2.974 -16.244 1.00 0.00 O ATOM 1101 CB GLN A 96 2.828 0.163 -17.850 1.00 0.00 C ATOM 1102 CG GLN A 96 1.386 -0.331 -17.855 1.00 0.00 C ATOM 1103 CD GLN A 96 0.924 -0.796 -19.225 1.00 0.00 C ATOM 1104 OE1 GLN A 96 1.722 -1.260 -20.041 1.00 0.00 O ATOM 1105 NE2 GLN A 96 -0.375 -0.682 -19.484 1.00 0.00 N ATOM 0 H GLN A 96 2.669 -1.305 -15.865 1.00 0.00 H new ATOM 0 HA GLN A 96 4.402 0.806 -16.544 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.915 1.006 -18.536 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.473 -0.627 -18.233 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.287 -1.153 -17.146 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.732 0.470 -17.509 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.003 -0.292 -18.781 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.744 -0.984 -20.386 1.00 0.00 H new ATOM 1114 N LYS A 97 1.463 1.646 -15.332 1.00 0.00 N ATOM 1115 CA LYS A 97 0.654 2.735 -14.792 1.00 0.00 C ATOM 1116 C LYS A 97 1.386 3.456 -13.659 1.00 0.00 C ATOM 1117 O LYS A 97 1.245 4.669 -13.496 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.678 2.184 -14.269 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.819 2.278 -15.270 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.524 1.497 -16.543 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.643 1.645 -17.563 1.00 0.00 C ATOM 1122 NZ LYS A 97 -3.912 1.012 -17.104 1.00 0.00 N ATOM 0 H LYS A 97 1.081 0.718 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 97 0.469 3.449 -15.594 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.542 1.141 -13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.955 2.727 -13.365 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.733 1.898 -14.815 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.998 3.324 -15.519 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.587 1.847 -16.976 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.389 0.443 -16.301 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.817 2.703 -17.758 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.334 1.194 -18.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.609 1.033 -17.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.729 0.026 -16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.285 1.535 -16.286 1.00 0.00 H new ATOM 1136 N PHE A 98 2.167 2.702 -12.879 1.00 0.00 N ATOM 1137 CA PHE A 98 2.914 3.273 -11.760 1.00 0.00 C ATOM 1138 C PHE A 98 4.377 3.531 -12.132 1.00 0.00 C ATOM 1139 O PHE A 98 5.275 3.371 -11.300 1.00 0.00 O ATOM 1140 CB PHE A 98 2.833 2.346 -10.542 1.00 0.00 C ATOM 1141 CG PHE A 98 1.436 2.169 -10.014 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.707 3.259 -9.569 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.855 0.912 -9.965 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.576 3.101 -9.083 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.428 0.747 -9.480 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.144 1.844 -9.038 1.00 0.00 C ATOM 0 H PHE A 98 2.296 1.698 -13.003 1.00 0.00 H new ATOM 0 HA PHE A 98 2.460 4.232 -11.512 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.238 1.370 -10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.465 2.746 -9.749 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.147 4.245 -9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.411 0.052 -10.309 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.134 3.959 -8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.871 -0.237 -9.446 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.147 1.717 -8.658 1.00 0.00 H new ATOM 1156 N CYS A 99 4.613 3.932 -13.383 1.00 0.00 N ATOM 1157 CA CYS A 99 5.964 4.225 -13.852 1.00 0.00 C ATOM 1158 C CYS A 99 6.304 5.694 -13.588 1.00 0.00 C ATOM 1159 O CYS A 99 6.510 6.478 -14.518 1.00 0.00 O ATOM 1160 CB CYS A 99 6.088 3.903 -15.346 1.00 0.00 C ATOM 1161 SG CYS A 99 7.770 4.039 -16.000 1.00 0.00 S ATOM 0 H CYS A 99 3.886 4.060 -14.087 1.00 0.00 H new ATOM 0 HA CYS A 99 6.671 3.601 -13.306 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.724 2.890 -15.519 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.438 4.575 -15.906 1.00 0.00 H new ATOM 0 HG CYS A 99 8.422 4.946 -15.336 1.00 0.00 H new ATOM 1167 N MET A 100 6.360 6.056 -12.306 1.00 0.00 N ATOM 1168 CA MET A 100 6.661 7.428 -11.900 1.00 0.00 C ATOM 1169 C MET A 100 7.245 7.467 -10.488 1.00 0.00 C ATOM 1170 O MET A 100 7.186 6.480 -9.751 1.00 0.00 O ATOM 1171 CB MET A 100 5.393 8.286 -11.963 1.00 0.00 C ATOM 1172 CG MET A 100 4.400 7.989 -10.846 1.00 0.00 C ATOM 1173 SD MET A 100 2.777 8.713 -11.144 1.00 0.00 S ATOM 1174 CE MET A 100 2.126 7.586 -12.375 1.00 0.00 C ATOM 0 H MET A 100 6.200 5.415 -11.529 1.00 0.00 H new ATOM 0 HA MET A 100 7.403 7.830 -12.589 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.674 9.338 -11.918 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.904 8.127 -12.924 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.297 6.910 -10.736 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.795 8.369 -9.904 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.723 8.155 -13.212 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.924 6.934 -12.730 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.334 6.982 -11.932 1.00 0.00 H new ATOM 1184 N SER A 101 7.797 8.622 -10.113 1.00 0.00 N ATOM 1185 CA SER A 101 8.391 8.797 -8.790 1.00 0.00 C ATOM 1186 C SER A 101 7.315 8.835 -7.705 1.00 0.00 C ATOM 1187 O SER A 101 6.148 9.123 -7.983 1.00 0.00 O ATOM 1188 CB SER A 101 9.230 10.079 -8.742 1.00 0.00 C ATOM 1189 OG SER A 101 8.428 11.226 -8.975 1.00 0.00 O ATOM 0 H SER A 101 7.844 9.449 -10.708 1.00 0.00 H new ATOM 0 HA SER A 101 9.040 7.942 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.715 10.163 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.021 10.027 -9.490 1.00 0.00 H new ATOM 0 HG SER A 101 8.988 12.030 -8.937 1.00 0.00 H new ATOM 1195 N GLY A 102 7.718 8.539 -6.471 1.00 0.00 N ATOM 1196 CA GLY A 102 6.786 8.540 -5.355 1.00 0.00 C ATOM 1197 C GLY A 102 6.088 9.875 -5.172 1.00 0.00 C ATOM 1198 O GLY A 102 4.884 9.917 -4.911 1.00 0.00 O ATOM 0 H GLY A 102 8.678 8.298 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.038 7.763 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.322 8.287 -4.440 1.00 0.00 H new ATOM 1202 N ALA A 103 6.846 10.969 -5.305 1.00 0.00 N ATOM 1203 CA ALA A 103 6.292 12.317 -5.168 1.00 0.00 C ATOM 1204 C ALA A 103 5.095 12.512 -6.101 1.00 0.00 C ATOM 1205 O ALA A 103 4.111 13.158 -5.736 1.00 0.00 O ATOM 1206 CB ALA A 103 7.363 13.358 -5.460 1.00 0.00 C ATOM 0 H ALA A 103 7.845 10.945 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 103 5.948 12.442 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.938 14.356 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.188 13.239 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.731 13.226 -6.477 1.00 0.00 H new ATOM 1212 N ALA A 104 5.188 11.941 -7.305 1.00 0.00 N ATOM 1213 CA ALA A 104 4.115 12.035 -8.293 1.00 0.00 C ATOM 1214 C ALA A 104 2.922 11.184 -7.871 1.00 0.00 C ATOM 1215 O ALA A 104 1.775 11.623 -7.948 1.00 0.00 O ATOM 1216 CB ALA A 104 4.615 11.594 -9.661 1.00 0.00 C ATOM 0 H ALA A 104 5.999 11.407 -7.618 1.00 0.00 H new ATOM 0 HA ALA A 104 3.795 13.075 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.805 11.669 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.440 12.235 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.959 10.561 -9.607 1.00 0.00 H new ATOM 1222 N LEU A 105 3.215 9.960 -7.425 1.00 0.00 N ATOM 1223 CA LEU A 105 2.188 9.022 -6.974 1.00 0.00 C ATOM 1224 C LEU A 105 1.317 9.638 -5.877 1.00 0.00 C ATOM 1225 O LEU A 105 0.093 9.503 -5.904 1.00 0.00 O ATOM 1226 CB LEU A 105 2.852 7.739 -6.466 1.00 0.00 C ATOM 1227 CG LEU A 105 1.920 6.541 -6.296 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.398 6.070 -7.647 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.641 5.410 -5.575 1.00 0.00 C ATOM 0 H LEU A 105 4.165 9.594 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 105 1.541 8.787 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.648 7.463 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.324 7.950 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 105 1.067 6.849 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.736 5.216 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.847 6.879 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.236 5.777 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.965 4.562 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.511 5.104 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.963 5.752 -4.592 1.00 0.00 H new ATOM 1241 N CYS A 106 1.950 10.308 -4.912 1.00 0.00 N ATOM 1242 CA CYS A 106 1.223 10.954 -3.817 1.00 0.00 C ATOM 1243 C CYS A 106 0.382 12.119 -4.338 1.00 0.00 C ATOM 1244 O CYS A 106 -0.756 12.317 -3.906 1.00 0.00 O ATOM 1245 CB CYS A 106 2.199 11.454 -2.748 1.00 0.00 C ATOM 1246 SG CYS A 106 3.154 10.143 -1.952 1.00 0.00 S ATOM 0 H CYS A 106 2.963 10.417 -4.866 1.00 0.00 H new ATOM 0 HA CYS A 106 0.557 10.215 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.888 12.165 -3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.640 11.996 -1.985 1.00 0.00 H new ATOM 0 HG CYS A 106 4.043 9.687 -2.784 1.00 0.00 H new ATOM 1252 N ALA A 107 0.953 12.886 -5.271 1.00 0.00 N ATOM 1253 CA ALA A 107 0.263 14.028 -5.869 1.00 0.00 C ATOM 1254 C ALA A 107 -0.970 13.589 -6.667 1.00 0.00 C ATOM 1255 O ALA A 107 -1.901 14.373 -6.860 1.00 0.00 O ATOM 1256 CB ALA A 107 1.217 14.808 -6.763 1.00 0.00 C ATOM 0 H ALA A 107 1.896 12.734 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.078 14.672 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.692 15.656 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.058 15.169 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.585 14.158 -7.557 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.969 12.334 -7.125 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.083 11.788 -7.901 1.00 0.00 C ATOM 1264 C LEU A 108 -3.348 11.633 -7.056 1.00 0.00 C ATOM 1265 O LEU A 108 -4.454 11.894 -7.532 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.697 10.431 -8.500 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.738 10.488 -9.691 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.345 9.084 -10.120 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.370 11.243 -10.852 1.00 0.00 C ATOM 0 H LEU A 108 -0.205 11.676 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.298 12.497 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.242 9.824 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.607 9.919 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 108 0.162 11.022 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.337 9.140 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.147 8.575 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.237 8.529 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.673 11.273 -11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.285 10.737 -11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.605 12.260 -10.539 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.179 11.222 -5.797 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.319 11.024 -4.919 1.00 0.00 C ATOM 1283 C GLY A 109 -4.973 9.667 -5.119 1.00 0.00 C ATOM 1284 O GLY A 109 -4.570 8.898 -5.995 1.00 0.00 O ATOM 0 H GLY A 109 -2.273 11.024 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.997 11.120 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.054 11.809 -5.099 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.984 9.371 -4.301 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.700 8.095 -4.385 1.00 0.00 C ATOM 1290 C LYS A 110 -7.383 7.919 -5.742 1.00 0.00 C ATOM 1291 O LYS A 110 -7.212 6.890 -6.393 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.740 7.990 -3.266 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.493 6.668 -3.261 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.400 6.543 -2.050 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.575 7.506 -2.124 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.501 7.344 -0.968 1.00 0.00 N ATOM 0 H LYS A 110 -6.326 9.997 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.963 7.300 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.243 8.120 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.455 8.806 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.087 6.584 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.780 5.843 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.772 5.521 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.826 6.738 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.203 8.530 -2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.121 7.341 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.288 8.018 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.876 6.374 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.986 7.527 -0.083 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.158 8.923 -6.161 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.872 8.872 -7.441 1.00 0.00 C ATOM 1312 C GLU A 111 -7.947 8.471 -8.593 1.00 0.00 C ATOM 1313 O GLU A 111 -8.254 7.541 -9.340 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.547 10.217 -7.742 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.596 11.406 -7.759 1.00 0.00 C ATOM 1316 CD GLU A 111 -9.315 12.725 -7.969 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.483 13.129 -9.140 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.709 13.356 -6.965 1.00 0.00 O ATOM 0 H GLU A 111 -8.308 9.782 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.641 8.105 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.045 10.152 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.321 10.397 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.047 11.441 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.861 11.267 -8.551 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.813 9.161 -8.729 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.861 8.862 -9.797 1.00 0.00 C ATOM 1327 C CYS A 112 -5.223 7.486 -9.605 1.00 0.00 C ATOM 1328 O CYS A 112 -5.048 6.739 -10.569 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.779 9.939 -9.866 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.372 11.548 -10.442 1.00 0.00 S ATOM 0 H CYS A 112 -6.534 9.927 -8.116 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.411 8.851 -10.738 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.338 10.060 -8.876 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.984 9.598 -10.530 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.239 12.425 -9.492 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.883 7.153 -8.357 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.269 5.865 -8.045 1.00 0.00 C ATOM 1338 C PHE A 113 -5.212 4.711 -8.392 1.00 0.00 C ATOM 1339 O PHE A 113 -4.786 3.705 -8.960 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.886 5.803 -6.564 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.980 4.654 -6.227 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.500 3.395 -5.972 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.608 4.834 -6.165 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.668 2.337 -5.663 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.771 3.780 -5.855 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.302 2.530 -5.604 1.00 0.00 C ATOM 0 H PHE A 113 -5.023 7.759 -7.548 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.367 5.765 -8.649 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.396 6.736 -6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.794 5.727 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.568 3.240 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.188 5.809 -6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.085 1.360 -5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.297 3.933 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.649 1.704 -5.362 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.494 4.862 -8.040 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.498 3.838 -8.330 1.00 0.00 C ATOM 1358 C LEU A 114 -7.726 3.711 -9.838 1.00 0.00 C ATOM 1359 O LEU A 114 -8.166 2.668 -10.319 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.815 4.150 -7.609 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.960 3.519 -6.219 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.800 3.921 -5.317 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.288 3.916 -5.591 1.00 0.00 C ATOM 0 H LEU A 114 -6.858 5.682 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.124 2.883 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.911 5.231 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.642 3.811 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.941 2.435 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.925 3.461 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.862 3.584 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.782 5.006 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.375 3.460 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.335 5.001 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.107 3.572 -6.223 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.447 4.786 -10.579 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.574 4.767 -12.035 1.00 0.00 C ATOM 1377 C GLU A 115 -6.395 4.011 -12.660 1.00 0.00 C ATOM 1378 O GLU A 115 -6.487 3.522 -13.787 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.637 6.193 -12.590 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.947 6.907 -12.293 1.00 0.00 C ATOM 1381 CD GLU A 115 -8.915 8.372 -12.684 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -9.220 8.681 -13.855 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.584 9.210 -11.819 1.00 0.00 O ATOM 0 H GLU A 115 -7.133 5.677 -10.195 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.501 4.254 -12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.814 6.773 -12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.488 6.160 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.757 6.410 -12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.169 6.824 -11.229 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.287 3.925 -11.912 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.082 3.229 -12.366 1.00 0.00 C ATOM 1392 C LEU A 116 -4.116 1.747 -11.983 1.00 0.00 C ATOM 1393 O LEU A 116 -3.638 0.895 -12.734 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.836 3.877 -11.754 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.591 5.335 -12.147 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.449 5.921 -11.332 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.292 5.441 -13.634 1.00 0.00 C ATOM 0 H LEU A 116 -5.203 4.334 -10.981 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.046 3.308 -13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.914 3.820 -10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.964 3.290 -12.042 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.495 5.906 -11.935 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.288 6.959 -11.624 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.699 5.877 -10.272 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.540 5.348 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.120 6.485 -13.897 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.403 4.856 -13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.139 5.058 -14.204 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.684 1.449 -10.810 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.763 0.074 -10.318 1.00 0.00 C ATOM 1411 C ALA A 117 -6.210 -0.387 -10.141 1.00 0.00 C ATOM 1412 O ALA A 117 -7.092 0.417 -9.848 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.009 -0.056 -9.004 1.00 0.00 C ATOM 0 H ALA A 117 -5.095 2.143 -10.185 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.302 -0.570 -11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.075 -1.084 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.963 0.209 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.448 0.614 -8.265 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.460 -1.701 -10.329 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.792 -2.307 -10.190 1.00 0.00 C ATOM 1421 C PRO A 118 -8.595 -1.799 -8.988 1.00 0.00 C ATOM 1422 O PRO A 118 -8.053 -1.215 -8.048 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.482 -3.790 -10.006 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.193 -4.014 -10.719 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.452 -2.699 -10.733 1.00 0.00 C ATOM 0 HA PRO A 118 -8.414 -2.065 -11.052 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.397 -4.046 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.275 -4.412 -10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.604 -4.781 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.372 -4.365 -11.735 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.608 -2.712 -10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.051 -2.480 -11.723 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.898 -2.066 -9.038 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.844 -1.666 -7.993 1.00 0.00 C ATOM 1435 C ASP A 119 -10.519 -2.272 -6.622 1.00 0.00 C ATOM 1436 O ASP A 119 -10.956 -1.742 -5.599 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.262 -2.086 -8.401 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.426 -3.593 -8.486 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -12.071 -4.171 -9.534 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.912 -4.193 -7.503 1.00 0.00 O ATOM 0 H ASP A 119 -10.333 -2.570 -9.811 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.767 -0.583 -7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.976 -1.687 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.504 -1.643 -9.367 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.762 -3.374 -6.595 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.444 -4.020 -5.318 1.00 0.00 C ATOM 1447 C PHE A 120 -7.980 -3.822 -4.913 1.00 0.00 C ATOM 1448 O PHE A 120 -7.699 -3.447 -3.773 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.825 -5.508 -5.329 1.00 0.00 C ATOM 1450 CG PHE A 120 -9.365 -6.251 -6.555 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -10.091 -6.180 -7.734 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -8.212 -7.018 -6.529 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -9.676 -6.858 -8.862 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -7.792 -7.700 -7.655 1.00 0.00 C ATOM 1455 CZ PHE A 120 -8.525 -7.619 -8.824 1.00 0.00 C ATOM 0 H PHE A 120 -9.367 -3.827 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.051 -3.527 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.401 -5.987 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.909 -5.595 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.993 -5.587 -7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -7.635 -7.084 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.251 -6.793 -9.774 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -6.892 -8.296 -7.622 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.198 -8.150 -9.706 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.052 -4.075 -5.840 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.623 -3.918 -5.549 1.00 0.00 C ATOM 1467 C VAL A 121 -5.277 -2.456 -5.248 1.00 0.00 C ATOM 1468 O VAL A 121 -4.445 -2.176 -4.384 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.731 -4.427 -6.705 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.139 -5.827 -7.135 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.772 -3.473 -7.884 1.00 0.00 C ATOM 0 H VAL A 121 -7.260 -4.386 -6.789 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.421 -4.527 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.706 -4.471 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.495 -6.160 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.040 -6.510 -6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.175 -5.816 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.136 -3.854 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.796 -3.386 -8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.413 -2.493 -7.571 1.00 0.00 H new ATOM 1481 N GLY A 122 -5.922 -1.532 -5.971 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.681 -0.111 -5.766 1.00 0.00 C ATOM 1483 C GLY A 122 -6.009 0.345 -4.354 1.00 0.00 C ATOM 1484 O GLY A 122 -5.325 1.210 -3.804 1.00 0.00 O ATOM 0 H GLY A 122 -6.607 -1.747 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.635 0.110 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.280 0.460 -6.476 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.059 -0.237 -3.767 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.476 0.108 -2.409 1.00 0.00 C ATOM 1490 C ASP A 123 -6.386 -0.240 -1.398 1.00 0.00 C ATOM 1491 O ASP A 123 -6.024 0.583 -0.559 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.772 -0.620 -2.043 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.348 -0.146 -0.721 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.080 0.866 -0.721 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -9.062 -0.785 0.314 1.00 0.00 O ATOM 0 H ASP A 123 -7.635 -0.950 -4.214 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.651 1.183 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.507 -0.466 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.581 -1.692 -1.990 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.869 -1.468 -1.482 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.815 -1.927 -0.576 1.00 0.00 C ATOM 1502 C ILE A 124 -3.588 -1.026 -0.660 1.00 0.00 C ATOM 1503 O ILE A 124 -3.145 -0.462 0.342 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.371 -3.372 -0.899 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.567 -4.324 -0.888 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.309 -3.833 0.091 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.189 -5.760 -1.178 1.00 0.00 C ATOM 0 H ILE A 124 -6.164 -2.162 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.238 -1.893 0.428 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.940 -3.383 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.055 -4.273 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.295 -3.990 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.006 -4.852 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.444 -3.173 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.717 -3.804 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.083 -6.383 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.728 -5.823 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.483 -6.110 -0.424 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.049 -0.906 -1.874 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.862 -0.096 -2.124 1.00 0.00 C ATOM 1521 C LEU A 125 -2.013 1.325 -1.584 1.00 0.00 C ATOM 1522 O LEU A 125 -1.229 1.741 -0.736 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.543 -0.058 -3.621 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.222 -1.413 -4.257 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.101 -1.278 -5.768 1.00 0.00 C ATOM 1526 CD2 LEU A 125 0.056 -1.991 -3.668 1.00 0.00 C ATOM 0 H LEU A 125 -3.422 -1.365 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.035 -0.566 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.393 0.379 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.695 0.608 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.041 -2.098 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.873 -2.251 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.042 -0.909 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.302 -0.577 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.268 -2.954 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.884 -1.308 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.067 -2.126 -2.593 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.021 2.064 -2.057 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.226 3.443 -1.605 1.00 0.00 C ATOM 1540 C TRP A 126 -3.507 3.518 -0.098 1.00 0.00 C ATOM 1541 O TRP A 126 -3.120 4.495 0.545 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.343 4.139 -2.403 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.143 5.108 -1.579 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.960 6.457 -1.488 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.233 4.790 -0.707 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.871 6.997 -0.612 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.664 5.994 -0.120 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.887 3.603 -0.367 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.717 6.042 0.789 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.932 3.652 0.535 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.338 4.864 1.104 1.00 0.00 C ATOM 0 H TRP A 126 -3.700 1.736 -2.744 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.294 3.976 -1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.902 4.668 -3.248 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.012 3.383 -2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.210 7.018 -2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.945 7.985 -0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.581 2.663 -0.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.033 6.976 1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.444 2.740 0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.158 4.870 1.806 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.173 2.513 0.470 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.462 2.527 1.904 1.00 0.00 C ATOM 1564 C GLU A 127 -3.159 2.545 2.704 1.00 0.00 C ATOM 1565 O GLU A 127 -2.936 3.443 3.520 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.321 1.325 2.309 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.946 1.466 3.689 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.928 2.622 3.772 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -6.493 3.753 4.080 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -8.132 2.397 3.529 1.00 0.00 O ATOM 0 H GLU A 127 -4.517 1.693 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.027 3.432 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.113 1.189 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.707 0.425 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.459 0.540 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.157 1.611 4.428 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.300 1.553 2.461 1.00 0.00 N ATOM 1578 CA HIS A 128 -1.007 1.471 3.138 1.00 0.00 C ATOM 1579 C HIS A 128 -0.098 2.611 2.675 1.00 0.00 C ATOM 1580 O HIS A 128 0.667 3.167 3.464 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.345 0.119 2.857 1.00 0.00 C ATOM 1582 CG HIS A 128 1.031 -0.019 3.436 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.109 -0.467 2.703 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.502 0.231 4.681 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.183 -0.490 3.472 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.843 -0.070 4.675 1.00 0.00 N ATOM 0 H HIS A 128 -2.478 0.796 1.801 1.00 0.00 H new ATOM 0 HA HIS A 128 -1.168 1.563 4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.977 -0.674 3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.291 -0.030 1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 128 0.931 0.598 5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.172 -0.800 3.167 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.473 0.017 5.472 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.194 2.948 1.387 1.00 0.00 N ATOM 1596 CA LEU A 129 0.596 4.027 0.797 1.00 0.00 C ATOM 1597 C LEU A 129 0.319 5.346 1.515 1.00 0.00 C ATOM 1598 O LEU A 129 1.248 6.074 1.862 1.00 0.00 O ATOM 1599 CB LEU A 129 0.270 4.164 -0.693 1.00 0.00 C ATOM 1600 CG LEU A 129 1.164 5.127 -1.478 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.594 4.609 -1.532 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.614 5.332 -2.881 1.00 0.00 C ATOM 0 H LEU A 129 -0.818 2.483 0.728 1.00 0.00 H new ATOM 0 HA LEU A 129 1.653 3.784 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.336 3.178 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.764 4.494 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 129 1.171 6.089 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.213 5.308 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.984 4.512 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.610 3.635 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.260 6.019 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.579 4.375 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.391 5.749 -2.820 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.966 5.643 1.737 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.366 6.871 2.424 1.00 0.00 C ATOM 1616 C GLU A 130 -0.769 6.895 3.829 1.00 0.00 C ATOM 1617 O GLU A 130 -0.329 7.939 4.312 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.894 6.971 2.489 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.403 8.308 3.005 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.871 8.264 3.387 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.726 8.287 2.475 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.166 8.206 4.600 1.00 0.00 O ATOM 0 H GLU A 130 -1.744 5.049 1.450 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.990 7.729 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.302 6.798 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.273 6.176 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.814 8.607 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.253 9.070 2.240 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.766 5.727 4.473 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.199 5.573 5.809 1.00 0.00 C ATOM 1631 C ILE A 131 1.287 5.938 5.797 1.00 0.00 C ATOM 1632 O ILE A 131 1.783 6.603 6.709 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.377 4.121 6.312 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.857 3.832 6.579 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.456 3.869 7.559 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.154 2.370 6.840 1.00 0.00 C ATOM 0 H ILE A 131 -1.154 4.868 4.084 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.728 6.245 6.485 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.025 3.443 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.184 4.419 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.444 4.166 5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.312 2.841 7.891 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.509 4.033 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.144 4.552 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.221 2.242 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.859 1.778 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.595 2.036 7.714 1.00 0.00 H new ATOM 1648 N LEU A 132 1.984 5.496 4.748 1.00 0.00 N ATOM 1649 CA LEU A 132 3.408 5.776 4.576 1.00 0.00 C ATOM 1650 C LEU A 132 3.652 7.269 4.342 1.00 0.00 C ATOM 1651 O LEU A 132 4.640 7.823 4.825 1.00 0.00 O ATOM 1652 CB LEU A 132 3.963 4.972 3.396 1.00 0.00 C ATOM 1653 CG LEU A 132 3.919 3.449 3.562 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.269 2.761 2.252 1.00 0.00 C ATOM 1655 CD2 LEU A 132 4.866 3.005 4.669 1.00 0.00 C ATOM 0 H LEU A 132 1.578 4.937 3.998 1.00 0.00 H new ATOM 0 HA LEU A 132 3.922 5.482 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.403 5.240 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 132 4.997 5.273 3.227 1.00 0.00 H new ATOM 0 HG LEU A 132 2.905 3.162 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.233 1.680 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.553 3.054 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.272 3.055 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.822 1.921 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 132 5.884 3.304 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.571 3.472 5.609 1.00 0.00 H new ATOM 1667 N GLN A 133 2.748 7.913 3.591 1.00 0.00 N ATOM 1668 CA GLN A 133 2.859 9.345 3.295 1.00 0.00 C ATOM 1669 C GLN A 133 2.982 10.167 4.576 1.00 0.00 C ATOM 1670 O GLN A 133 3.768 11.113 4.642 1.00 0.00 O ATOM 1671 CB GLN A 133 1.642 9.827 2.498 1.00 0.00 C ATOM 1672 CG GLN A 133 1.484 9.158 1.143 1.00 0.00 C ATOM 1673 CD GLN A 133 0.174 9.509 0.461 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.361 10.605 0.640 1.00 0.00 O ATOM 1675 NE2 GLN A 133 -0.354 8.576 -0.324 1.00 0.00 N ATOM 0 H GLN A 133 1.931 7.463 3.178 1.00 0.00 H new ATOM 0 HA GLN A 133 3.761 9.486 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.742 9.649 3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.720 10.904 2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.313 9.452 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.545 8.077 1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.122 7.682 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -1.235 8.754 -0.806 1.00 0.00 H new