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 Set 1.1: A 106 CYS SG : rot -21:sc= -0.0205 USER MOD Set 1.2: A 133 GLN : amide:sc= -1.41 K(o=-1.4,f=-2) USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 164:sc= -0.0334 (180deg=-0.278) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -0.0147 (180deg=-0.152) USER MOD Single : A 60 GLN : amide:sc= -2.18 K(o=-2.2,f=-6.1!) USER MOD Single : A 61 GLN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.862 X(o=-0.86,f=-0.61) USER MOD Single : A 73 THR OG1 : rot 46:sc= -0.0688 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-2.5) USER MOD Single : A 82 MET CE :methyl -164:sc= -0.749 (180deg=-1.64!) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -126:sc=0.000767 (180deg=-0.0396) USER MOD Single : A 99 CYS SG : rot -24:sc= 0.378 USER MOD Single : A 100 MET CE :methyl 160:sc= -0.061 (180deg=-0.425) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= -0.052 (180deg=-0.336) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.631 -7.133 7.223 1.00 0.00 N ATOM 414 CA GLY A 55 6.969 -7.750 5.947 1.00 0.00 C ATOM 415 C GLY A 55 7.439 -6.734 4.913 1.00 0.00 C ATOM 416 O GLY A 55 8.015 -7.107 3.891 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.751 -8.493 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.098 -8.280 5.561 1.00 0.00 H new ATOM 420 N PHE A 56 7.196 -5.449 5.188 1.00 0.00 N ATOM 421 CA PHE A 56 7.596 -4.377 4.284 1.00 0.00 C ATOM 422 C PHE A 56 9.009 -3.901 4.612 1.00 0.00 C ATOM 423 O PHE A 56 9.845 -3.770 3.719 1.00 0.00 O ATOM 424 CB PHE A 56 6.613 -3.205 4.358 1.00 0.00 C ATOM 425 CG PHE A 56 6.845 -2.157 3.301 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.217 -2.519 2.015 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.692 -0.811 3.595 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.434 -1.562 1.045 1.00 0.00 C ATOM 429 CE2 PHE A 56 6.907 0.152 2.627 1.00 0.00 C ATOM 430 CZ PHE A 56 7.278 -0.225 1.351 1.00 0.00 C ATOM 0 H PHE A 56 6.723 -5.130 6.033 1.00 0.00 H new ATOM 0 HA PHE A 56 7.585 -4.771 3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.597 -3.587 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.687 -2.740 5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.338 -3.564 1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.402 -0.511 4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.725 -1.858 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.785 1.198 2.868 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.446 0.526 0.593 1.00 0.00 H new ATOM 440 N THR A 57 9.264 -3.645 5.897 1.00 0.00 N ATOM 441 CA THR A 57 10.578 -3.193 6.351 1.00 0.00 C ATOM 442 C THR A 57 11.676 -4.159 5.910 1.00 0.00 C ATOM 443 O THR A 57 12.767 -3.729 5.530 1.00 0.00 O ATOM 444 CB THR A 57 10.625 -3.030 7.885 1.00 0.00 C ATOM 445 OG1 THR A 57 9.554 -2.182 8.322 1.00 0.00 O ATOM 446 CG2 THR A 57 11.955 -2.438 8.331 1.00 0.00 C ATOM 0 H THR A 57 8.575 -3.744 6.642 1.00 0.00 H new ATOM 0 HA THR A 57 10.752 -2.220 5.892 1.00 0.00 H new ATOM 0 HB THR A 57 10.516 -4.018 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.590 -2.085 9.297 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.961 -2.334 9.416 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.767 -3.097 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.090 -1.459 7.872 1.00 0.00 H new ATOM 454 N LYS A 58 11.388 -5.462 5.957 1.00 0.00 N ATOM 455 CA LYS A 58 12.357 -6.477 5.536 1.00 0.00 C ATOM 456 C LYS A 58 12.776 -6.246 4.086 1.00 0.00 C ATOM 457 O LYS A 58 13.932 -6.465 3.722 1.00 0.00 O ATOM 458 CB LYS A 58 11.772 -7.881 5.699 1.00 0.00 C ATOM 459 CG LYS A 58 12.173 -8.555 7.000 1.00 0.00 C ATOM 460 CD LYS A 58 11.644 -7.806 8.215 1.00 0.00 C ATOM 461 CE LYS A 58 12.112 -8.438 9.517 1.00 0.00 C ATOM 462 NZ LYS A 58 13.589 -8.342 9.691 1.00 0.00 N ATOM 0 H LYS A 58 10.497 -5.838 6.281 1.00 0.00 H new ATOM 0 HA LYS A 58 13.238 -6.393 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.685 -7.821 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.096 -8.501 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.795 -9.577 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.260 -8.617 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.976 -6.768 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.554 -7.794 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.617 -7.948 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.813 -9.486 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.841 -8.596 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.059 -8.994 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.899 -7.369 9.496 1.00 0.00 H new ATOM 476 N GLU A 59 11.823 -5.798 3.268 1.00 0.00 N ATOM 477 CA GLU A 59 12.079 -5.507 1.862 1.00 0.00 C ATOM 478 C GLU A 59 12.791 -4.161 1.732 1.00 0.00 C ATOM 479 O GLU A 59 13.712 -4.008 0.929 1.00 0.00 O ATOM 480 CB GLU A 59 10.759 -5.488 1.084 1.00 0.00 C ATOM 481 CG GLU A 59 10.879 -4.937 -0.330 1.00 0.00 C ATOM 482 CD GLU A 59 10.144 -3.621 -0.507 1.00 0.00 C ATOM 483 OE1 GLU A 59 10.650 -2.587 -0.020 1.00 0.00 O ATOM 484 OE2 GLU A 59 9.063 -3.623 -1.133 1.00 0.00 O ATOM 0 H GLU A 59 10.861 -5.629 3.561 1.00 0.00 H new ATOM 0 HA GLU A 59 12.719 -6.285 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.364 -6.503 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.033 -4.890 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.932 -4.796 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.484 -5.668 -1.036 1.00 0.00 H new ATOM 491 N GLN A 60 12.341 -3.188 2.528 1.00 0.00 N ATOM 492 CA GLN A 60 12.921 -1.844 2.535 1.00 0.00 C ATOM 493 C GLN A 60 14.411 -1.879 2.877 1.00 0.00 C ATOM 494 O GLN A 60 15.169 -1.014 2.443 1.00 0.00 O ATOM 495 CB GLN A 60 12.183 -0.962 3.547 1.00 0.00 C ATOM 496 CG GLN A 60 10.677 -0.925 3.342 1.00 0.00 C ATOM 497 CD GLN A 60 10.225 0.271 2.529 1.00 0.00 C ATOM 498 OE1 GLN A 60 10.159 0.209 1.303 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.906 1.366 3.209 1.00 0.00 N ATOM 0 H GLN A 60 11.568 -3.309 3.183 1.00 0.00 H new ATOM 0 HA GLN A 60 12.811 -1.428 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.395 -1.324 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.574 0.053 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.360 -1.840 2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.183 -0.906 4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.976 1.373 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.591 2.200 2.714 1.00 0.00 H new ATOM 508 N GLN A 61 14.821 -2.875 3.664 1.00 0.00 N ATOM 509 CA GLN A 61 16.225 -3.019 4.059 1.00 0.00 C ATOM 510 C GLN A 61 17.071 -3.642 2.943 1.00 0.00 C ATOM 511 O GLN A 61 18.297 -3.513 2.949 1.00 0.00 O ATOM 512 CB GLN A 61 16.335 -3.869 5.327 1.00 0.00 C ATOM 513 CG GLN A 61 15.731 -3.210 6.557 1.00 0.00 C ATOM 514 CD GLN A 61 15.698 -4.136 7.758 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.637 -4.172 8.554 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.614 -4.895 7.895 1.00 0.00 N ATOM 0 H GLN A 61 14.203 -3.593 4.041 1.00 0.00 H new ATOM 0 HA GLN A 61 16.612 -2.019 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.840 -4.825 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.386 -4.084 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.306 -2.318 6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.717 -2.882 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.859 -4.834 7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.538 -5.538 8.683 1.00 0.00 H new ATOM 525 N ARG A 62 16.420 -4.310 1.990 1.00 0.00 N ATOM 526 CA ARG A 62 17.123 -4.947 0.877 1.00 0.00 C ATOM 527 C ARG A 62 17.546 -3.919 -0.175 1.00 0.00 C ATOM 528 O ARG A 62 18.666 -3.971 -0.686 1.00 0.00 O ATOM 529 CB ARG A 62 16.233 -6.014 0.233 1.00 0.00 C ATOM 530 CG ARG A 62 15.798 -7.106 1.197 1.00 0.00 C ATOM 531 CD ARG A 62 14.657 -7.934 0.627 1.00 0.00 C ATOM 532 NE ARG A 62 14.101 -8.856 1.618 1.00 0.00 N ATOM 533 CZ ARG A 62 12.846 -9.312 1.598 1.00 0.00 C ATOM 534 NH1 ARG A 62 12.003 -8.940 0.637 1.00 0.00 N ATOM 535 NH2 ARG A 62 12.430 -10.147 2.545 1.00 0.00 N ATOM 0 H ARG A 62 15.407 -4.424 1.967 1.00 0.00 H new ATOM 0 HA ARG A 62 18.023 -5.417 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.347 -5.534 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.770 -6.469 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.645 -7.756 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.487 -6.657 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.871 -7.270 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.014 -8.499 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 62 14.711 -9.171 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.313 -8.300 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.047 -9.295 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.069 -10.438 3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.472 -10.497 2.532 1.00 0.00 H new ATOM 549 N LEU A 63 16.645 -2.986 -0.490 1.00 0.00 N ATOM 550 CA LEU A 63 16.914 -1.951 -1.488 1.00 0.00 C ATOM 551 C LEU A 63 17.275 -0.607 -0.852 1.00 0.00 C ATOM 552 O LEU A 63 17.950 0.213 -1.479 1.00 0.00 O ATOM 553 CB LEU A 63 15.694 -1.767 -2.395 1.00 0.00 C ATOM 554 CG LEU A 63 15.340 -2.974 -3.267 1.00 0.00 C ATOM 555 CD1 LEU A 63 14.470 -3.957 -2.497 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.644 -2.521 -4.542 1.00 0.00 C ATOM 0 H LEU A 63 15.719 -2.927 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 63 17.772 -2.286 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.833 -1.524 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.871 -0.910 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 63 16.263 -3.484 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.230 -4.807 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.008 -4.305 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.549 -3.463 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.399 -3.391 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.729 -1.987 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.305 -1.860 -5.102 1.00 0.00 H new ATOM 568 N GLY A 64 16.830 -0.377 0.385 1.00 0.00 N ATOM 569 CA GLY A 64 17.106 0.885 1.057 1.00 0.00 C ATOM 570 C GLY A 64 15.948 1.872 0.944 1.00 0.00 C ATOM 571 O GLY A 64 16.098 3.048 1.279 1.00 0.00 O ATOM 0 H GLY A 64 16.284 -1.042 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.315 0.694 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.003 1.332 0.629 1.00 0.00 H new ATOM 575 N ILE A 65 14.794 1.387 0.470 1.00 0.00 N ATOM 576 CA ILE A 65 13.603 2.221 0.308 1.00 0.00 C ATOM 577 C ILE A 65 13.150 2.809 1.649 1.00 0.00 C ATOM 578 O ILE A 65 13.002 2.079 2.630 1.00 0.00 O ATOM 579 CB ILE A 65 12.433 1.416 -0.302 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.849 0.763 -1.623 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.221 2.313 -0.514 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.824 -0.211 -2.162 1.00 0.00 C ATOM 0 H ILE A 65 14.662 0.415 0.191 1.00 0.00 H new ATOM 0 HA ILE A 65 13.876 3.031 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 65 12.164 0.626 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.024 1.542 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.795 0.241 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.407 1.729 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.904 2.728 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.483 3.125 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.184 -0.636 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.666 -1.010 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.883 0.311 -2.338 1.00 0.00 H new ATOM 594 N PRO A 66 12.925 4.138 1.706 1.00 0.00 N ATOM 595 CA PRO A 66 12.481 4.809 2.935 1.00 0.00 C ATOM 596 C PRO A 66 11.010 4.531 3.243 1.00 0.00 C ATOM 597 O PRO A 66 10.280 4.014 2.396 1.00 0.00 O ATOM 598 CB PRO A 66 12.699 6.291 2.623 1.00 0.00 C ATOM 599 CG PRO A 66 12.575 6.390 1.142 1.00 0.00 C ATOM 600 CD PRO A 66 13.094 5.088 0.588 1.00 0.00 C ATOM 0 HA PRO A 66 13.024 4.463 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.958 6.914 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.679 6.626 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.538 6.552 0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.150 7.233 0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.532 4.775 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.138 5.169 0.286 1.00 0.00 H new ATOM 608 N LYS A 67 10.575 4.878 4.454 1.00 0.00 N ATOM 609 CA LYS A 67 9.187 4.653 4.861 1.00 0.00 C ATOM 610 C LYS A 67 8.325 5.891 4.597 1.00 0.00 C ATOM 611 O LYS A 67 7.674 6.413 5.503 1.00 0.00 O ATOM 612 CB LYS A 67 9.123 4.262 6.342 1.00 0.00 C ATOM 613 CG LYS A 67 9.902 2.996 6.669 1.00 0.00 C ATOM 614 CD LYS A 67 9.676 2.548 8.106 1.00 0.00 C ATOM 615 CE LYS A 67 8.260 2.028 8.323 1.00 0.00 C ATOM 616 NZ LYS A 67 7.976 0.808 7.514 1.00 0.00 N ATOM 0 H LYS A 67 11.159 5.314 5.167 1.00 0.00 H new ATOM 0 HA LYS A 67 8.789 3.833 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.511 5.084 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.081 4.122 6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.602 2.199 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.965 3.171 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.393 1.767 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.863 3.384 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.116 1.802 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.545 2.808 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.125 0.337 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.820 1.078 6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.785 0.157 7.572 1.00 0.00 H new ATOM 630 N ASP A 68 8.323 6.353 3.343 1.00 0.00 N ATOM 631 CA ASP A 68 7.539 7.526 2.952 1.00 0.00 C ATOM 632 C ASP A 68 7.478 7.668 1.428 1.00 0.00 C ATOM 633 O ASP A 68 8.511 7.726 0.760 1.00 0.00 O ATOM 634 CB ASP A 68 8.128 8.792 3.577 1.00 0.00 C ATOM 635 CG ASP A 68 7.284 10.021 3.298 1.00 0.00 C ATOM 636 OD1 ASP A 68 6.282 10.230 4.015 1.00 0.00 O ATOM 637 OD2 ASP A 68 7.626 10.772 2.362 1.00 0.00 O ATOM 0 H ASP A 68 8.856 5.932 2.582 1.00 0.00 H new ATOM 0 HA ASP A 68 6.522 7.389 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.219 8.654 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.135 8.950 3.190 1.00 0.00 H new ATOM 642 N PRO A 69 6.252 7.738 0.865 1.00 0.00 N ATOM 643 CA PRO A 69 6.029 7.861 -0.585 1.00 0.00 C ATOM 644 C PRO A 69 6.544 9.175 -1.172 1.00 0.00 C ATOM 645 O PRO A 69 7.155 9.172 -2.239 1.00 0.00 O ATOM 646 CB PRO A 69 4.502 7.776 -0.731 1.00 0.00 C ATOM 647 CG PRO A 69 4.017 7.217 0.561 1.00 0.00 C ATOM 648 CD PRO A 69 4.980 7.705 1.600 1.00 0.00 C ATOM 0 HA PRO A 69 6.572 7.087 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.069 8.758 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.221 7.136 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.003 7.554 0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.991 6.128 0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.704 8.689 1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.025 7.035 2.458 1.00 0.00 H new ATOM 656 N ARG A 70 6.286 10.298 -0.495 1.00 0.00 N ATOM 657 CA ARG A 70 6.745 11.605 -0.985 1.00 0.00 C ATOM 658 C ARG A 70 8.237 11.575 -1.333 1.00 0.00 C ATOM 659 O ARG A 70 8.662 12.202 -2.306 1.00 0.00 O ATOM 660 CB ARG A 70 6.478 12.707 0.048 1.00 0.00 C ATOM 661 CG ARG A 70 5.029 12.796 0.504 1.00 0.00 C ATOM 662 CD ARG A 70 4.887 12.407 1.966 1.00 0.00 C ATOM 663 NE ARG A 70 3.574 12.758 2.510 1.00 0.00 N ATOM 664 CZ ARG A 70 3.369 13.177 3.764 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.387 13.311 4.612 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.137 13.462 4.171 1.00 0.00 N ATOM 0 H ARG A 70 5.768 10.331 0.383 1.00 0.00 H new ATOM 0 HA ARG A 70 6.179 11.826 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.111 12.535 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.773 13.667 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.661 13.812 0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.411 12.142 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.046 11.334 2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.663 12.903 2.549 1.00 0.00 H new ATOM 0 HE ARG A 70 2.765 12.678 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.336 13.093 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.218 13.631 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.351 13.361 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.977 13.782 5.126 1.00 0.00 H new ATOM 680 N GLN A 71 9.023 10.846 -0.539 1.00 0.00 N ATOM 681 CA GLN A 71 10.465 10.730 -0.772 1.00 0.00 C ATOM 682 C GLN A 71 10.815 9.406 -1.464 1.00 0.00 C ATOM 683 O GLN A 71 11.780 8.733 -1.093 1.00 0.00 O ATOM 684 CB GLN A 71 11.229 10.863 0.555 1.00 0.00 C ATOM 685 CG GLN A 71 10.878 9.794 1.579 1.00 0.00 C ATOM 686 CD GLN A 71 11.448 10.090 2.954 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.570 9.695 3.272 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.675 10.787 3.782 1.00 0.00 N ATOM 0 H GLN A 71 8.686 10.327 0.272 1.00 0.00 H new ATOM 0 HA GLN A 71 10.766 11.540 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.299 10.821 0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.024 11.844 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.794 9.707 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.253 8.830 1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.751 11.096 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.006 11.013 4.720 1.00 0.00 H new ATOM 697 N TRP A 72 10.029 9.047 -2.483 1.00 0.00 N ATOM 698 CA TRP A 72 10.250 7.813 -3.239 1.00 0.00 C ATOM 699 C TRP A 72 10.507 8.115 -4.710 1.00 0.00 C ATOM 700 O TRP A 72 10.320 9.247 -5.164 1.00 0.00 O ATOM 701 CB TRP A 72 9.026 6.902 -3.142 1.00 0.00 C ATOM 702 CG TRP A 72 9.060 5.927 -2.009 1.00 0.00 C ATOM 703 CD1 TRP A 72 9.893 5.940 -0.930 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.211 4.789 -1.851 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.611 4.878 -0.108 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.581 4.156 -0.653 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.171 4.246 -2.609 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.946 3.005 -0.194 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.542 3.105 -2.155 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.931 2.496 -0.957 1.00 0.00 C ATOM 0 H TRP A 72 9.232 9.596 -2.803 1.00 0.00 H new ATOM 0 HA TRP A 72 11.121 7.318 -2.810 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.135 7.522 -3.043 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.927 6.349 -4.076 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.661 6.677 -0.749 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.090 4.661 0.766 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.865 4.711 -3.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.244 2.532 0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.737 2.675 -2.733 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.419 1.604 -0.627 1.00 0.00 H new ATOM 721 N THR A 73 10.934 7.096 -5.455 1.00 0.00 N ATOM 722 CA THR A 73 11.168 7.243 -6.886 1.00 0.00 C ATOM 723 C THR A 73 10.516 6.081 -7.643 1.00 0.00 C ATOM 724 O THR A 73 9.913 5.202 -7.026 1.00 0.00 O ATOM 725 CB THR A 73 12.675 7.327 -7.216 1.00 0.00 C ATOM 726 OG1 THR A 73 12.867 7.587 -8.613 1.00 0.00 O ATOM 727 CG2 THR A 73 13.391 6.038 -6.832 1.00 0.00 C ATOM 0 H THR A 73 11.124 6.163 -5.090 1.00 0.00 H new ATOM 0 HA THR A 73 10.714 8.181 -7.206 1.00 0.00 H new ATOM 0 HB THR A 73 13.099 8.147 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.264 8.305 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.450 6.124 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.277 5.863 -5.762 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.959 5.203 -7.384 1.00 0.00 H new ATOM 735 N GLU A 74 10.636 6.075 -8.971 1.00 0.00 N ATOM 736 CA GLU A 74 10.036 5.020 -9.796 1.00 0.00 C ATOM 737 C GLU A 74 10.389 3.623 -9.278 1.00 0.00 C ATOM 738 O GLU A 74 9.527 2.742 -9.229 1.00 0.00 O ATOM 739 CB GLU A 74 10.478 5.165 -11.255 1.00 0.00 C ATOM 740 CG GLU A 74 10.065 6.487 -11.884 1.00 0.00 C ATOM 741 CD GLU A 74 10.385 6.557 -13.364 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.535 6.901 -13.709 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.483 6.271 -14.180 1.00 0.00 O ATOM 0 H GLU A 74 11.141 6.786 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 74 8.954 5.135 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.562 5.069 -11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.056 4.346 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.994 6.634 -11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.571 7.303 -11.368 1.00 0.00 H new ATOM 750 N THR A 75 11.651 3.426 -8.893 1.00 0.00 N ATOM 751 CA THR A 75 12.104 2.132 -8.383 1.00 0.00 C ATOM 752 C THR A 75 11.386 1.763 -7.084 1.00 0.00 C ATOM 753 O THR A 75 10.873 0.653 -6.947 1.00 0.00 O ATOM 754 CB THR A 75 13.627 2.123 -8.136 1.00 0.00 C ATOM 755 OG1 THR A 75 14.321 2.546 -9.316 1.00 0.00 O ATOM 756 CG2 THR A 75 14.108 0.734 -7.735 1.00 0.00 C ATOM 0 H THR A 75 12.375 4.144 -8.925 1.00 0.00 H new ATOM 0 HA THR A 75 11.863 1.394 -9.148 1.00 0.00 H new ATOM 0 HB THR A 75 13.839 2.814 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.286 2.538 -9.148 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.185 0.756 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.604 0.425 -6.819 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.880 0.026 -8.532 1.00 0.00 H new ATOM 764 N HIS A 76 11.357 2.702 -6.134 1.00 0.00 N ATOM 765 CA HIS A 76 10.701 2.475 -4.841 1.00 0.00 C ATOM 766 C HIS A 76 9.208 2.195 -5.025 1.00 0.00 C ATOM 767 O HIS A 76 8.646 1.324 -4.359 1.00 0.00 O ATOM 768 CB HIS A 76 10.894 3.679 -3.915 1.00 0.00 C ATOM 769 CG HIS A 76 12.332 3.999 -3.623 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.721 5.095 -2.883 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.475 3.363 -3.978 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.038 5.121 -2.798 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.519 4.082 -3.452 1.00 0.00 N ATOM 0 H HIS A 76 11.779 3.625 -6.235 1.00 0.00 H new ATOM 0 HA HIS A 76 11.165 1.601 -4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.423 4.552 -4.367 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.376 3.488 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.550 2.460 -4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.623 5.867 -2.280 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.507 3.850 -3.551 1.00 0.00 H new ATOM 782 N VAL A 77 8.577 2.947 -5.929 1.00 0.00 N ATOM 783 CA VAL A 77 7.154 2.787 -6.221 1.00 0.00 C ATOM 784 C VAL A 77 6.858 1.389 -6.768 1.00 0.00 C ATOM 785 O VAL A 77 6.004 0.674 -6.244 1.00 0.00 O ATOM 786 CB VAL A 77 6.682 3.837 -7.252 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.265 3.537 -7.726 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.763 5.236 -6.654 1.00 0.00 C ATOM 0 H VAL A 77 9.035 3.678 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 77 6.615 2.929 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 77 7.343 3.789 -8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.957 4.290 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.238 2.552 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.585 3.553 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.428 5.966 -7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.126 5.292 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.793 5.452 -6.372 1.00 0.00 H new ATOM 798 N ARG A 78 7.587 1.015 -7.821 1.00 0.00 N ATOM 799 CA ARG A 78 7.420 -0.284 -8.470 1.00 0.00 C ATOM 800 C ARG A 78 7.819 -1.429 -7.542 1.00 0.00 C ATOM 801 O ARG A 78 7.078 -2.404 -7.410 1.00 0.00 O ATOM 802 CB ARG A 78 8.246 -0.336 -9.757 1.00 0.00 C ATOM 803 CG ARG A 78 8.150 -1.661 -10.497 1.00 0.00 C ATOM 804 CD ARG A 78 9.528 -2.202 -10.837 1.00 0.00 C ATOM 805 NE ARG A 78 10.242 -2.673 -9.647 1.00 0.00 N ATOM 806 CZ ARG A 78 11.543 -2.468 -9.416 1.00 0.00 C ATOM 807 NH1 ARG A 78 12.294 -1.801 -10.290 1.00 0.00 N ATOM 808 NH2 ARG A 78 12.099 -2.938 -8.304 1.00 0.00 N ATOM 0 H ARG A 78 8.306 1.601 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 78 6.364 -0.405 -8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.918 0.464 -10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.291 -0.141 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.614 -2.385 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.573 -1.528 -11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.430 -3.021 -11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.113 -1.423 -11.326 1.00 0.00 H new ATOM 0 HE ARG A 78 9.711 -3.192 -8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.878 -1.439 -11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.285 -1.652 -10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.534 -3.454 -7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.091 -2.783 -8.125 1.00 0.00 H new ATOM 822 N ASP A 79 8.985 -1.316 -6.904 1.00 0.00 N ATOM 823 CA ASP A 79 9.456 -2.363 -5.997 1.00 0.00 C ATOM 824 C ASP A 79 8.435 -2.619 -4.887 1.00 0.00 C ATOM 825 O ASP A 79 8.233 -3.764 -4.476 1.00 0.00 O ATOM 826 CB ASP A 79 10.816 -2.000 -5.396 1.00 0.00 C ATOM 827 CG ASP A 79 11.393 -3.123 -4.553 1.00 0.00 C ATOM 828 OD1 ASP A 79 11.952 -4.075 -5.136 1.00 0.00 O ATOM 829 OD2 ASP A 79 11.280 -3.051 -3.312 1.00 0.00 O ATOM 0 H ASP A 79 9.615 -0.519 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 79 9.573 -3.278 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.512 -1.757 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.712 -1.105 -4.783 1.00 0.00 H new ATOM 834 N TRP A 80 7.797 -1.548 -4.406 1.00 0.00 N ATOM 835 CA TRP A 80 6.789 -1.681 -3.359 1.00 0.00 C ATOM 836 C TRP A 80 5.556 -2.382 -3.930 1.00 0.00 C ATOM 837 O TRP A 80 5.174 -3.449 -3.456 1.00 0.00 O ATOM 838 CB TRP A 80 6.426 -0.316 -2.759 1.00 0.00 C ATOM 839 CG TRP A 80 5.101 -0.301 -2.058 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.789 -0.901 -0.871 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.905 0.341 -2.510 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.472 -0.668 -0.558 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.908 0.092 -1.549 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.582 1.103 -3.635 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.612 0.579 -1.681 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.295 1.586 -3.765 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.324 1.322 -2.792 1.00 0.00 C ATOM 0 H TRP A 80 7.960 -0.592 -4.722 1.00 0.00 H new ATOM 0 HA TRP A 80 7.197 -2.285 -2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.203 -0.020 -2.055 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.415 0.430 -3.554 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.477 -1.474 -0.267 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.992 -1.006 0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.326 1.311 -4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.860 0.377 -0.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.034 2.177 -4.631 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.326 1.714 -2.922 1.00 0.00 H new ATOM 858 N VAL A 81 4.922 -1.751 -4.927 1.00 0.00 N ATOM 859 CA VAL A 81 3.755 -2.332 -5.600 1.00 0.00 C ATOM 860 C VAL A 81 3.954 -3.827 -5.846 1.00 0.00 C ATOM 861 O VAL A 81 3.117 -4.642 -5.463 1.00 0.00 O ATOM 862 CB VAL A 81 3.473 -1.626 -6.949 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.413 -2.374 -7.748 1.00 0.00 C ATOM 864 CG2 VAL A 81 3.046 -0.185 -6.720 1.00 0.00 C ATOM 0 H VAL A 81 5.199 -0.837 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 81 2.900 -2.187 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 81 4.397 -1.627 -7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.235 -1.856 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.758 -3.388 -7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.486 -2.414 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.852 0.294 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.139 -0.166 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.840 0.351 -6.200 1.00 0.00 H new ATOM 874 N MET A 82 5.076 -4.175 -6.484 1.00 0.00 N ATOM 875 CA MET A 82 5.406 -5.569 -6.777 1.00 0.00 C ATOM 876 C MET A 82 5.394 -6.407 -5.500 1.00 0.00 C ATOM 877 O MET A 82 4.822 -7.497 -5.465 1.00 0.00 O ATOM 878 CB MET A 82 6.778 -5.651 -7.448 1.00 0.00 C ATOM 879 CG MET A 82 7.028 -6.959 -8.180 1.00 0.00 C ATOM 880 SD MET A 82 8.451 -6.871 -9.284 1.00 0.00 S ATOM 881 CE MET A 82 7.970 -5.510 -10.347 1.00 0.00 C ATOM 0 H MET A 82 5.773 -3.505 -6.808 1.00 0.00 H new ATOM 0 HA MET A 82 4.652 -5.968 -7.456 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.876 -4.826 -8.154 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.551 -5.516 -6.691 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.186 -7.755 -7.452 1.00 0.00 H new ATOM 0 HG3 MET A 82 6.141 -7.225 -8.756 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.591 -5.511 -11.243 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.924 -5.622 -10.631 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.102 -4.568 -9.815 1.00 0.00 H new ATOM 891 N TRP A 83 6.037 -5.881 -4.455 1.00 0.00 N ATOM 892 CA TRP A 83 6.096 -6.548 -3.156 1.00 0.00 C ATOM 893 C TRP A 83 4.689 -6.748 -2.580 1.00 0.00 C ATOM 894 O TRP A 83 4.403 -7.782 -1.977 1.00 0.00 O ATOM 895 CB TRP A 83 6.966 -5.724 -2.195 1.00 0.00 C ATOM 896 CG TRP A 83 6.750 -6.037 -0.745 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.418 -6.961 0.005 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.799 -5.419 0.131 1.00 0.00 C ATOM 899 NE1 TRP A 83 6.939 -6.958 1.293 1.00 0.00 N ATOM 900 CE2 TRP A 83 5.944 -6.020 1.395 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.839 -4.417 -0.033 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.163 -5.651 2.487 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.065 -4.051 1.052 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.232 -4.667 2.298 1.00 0.00 C ATOM 0 H TRP A 83 6.528 -4.987 -4.486 1.00 0.00 H new ATOM 0 HA TRP A 83 6.543 -7.534 -3.284 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.015 -5.892 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.766 -4.665 -2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.208 -7.601 -0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.270 -7.556 2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.704 -3.937 -0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.288 -6.125 3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.320 -3.278 0.937 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.613 -4.359 3.127 1.00 0.00 H new ATOM 915 N ALA A 84 3.816 -5.758 -2.781 1.00 0.00 N ATOM 916 CA ALA A 84 2.440 -5.824 -2.285 1.00 0.00 C ATOM 917 C ALA A 84 1.593 -6.806 -3.102 1.00 0.00 C ATOM 918 O ALA A 84 0.552 -7.272 -2.637 1.00 0.00 O ATOM 919 CB ALA A 84 1.807 -4.440 -2.295 1.00 0.00 C ATOM 0 H ALA A 84 4.039 -4.900 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 84 2.474 -6.190 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.784 -4.505 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.383 -3.772 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.799 -4.051 -3.313 1.00 0.00 H new ATOM 925 N VAL A 85 2.046 -7.118 -4.318 1.00 0.00 N ATOM 926 CA VAL A 85 1.337 -8.050 -5.190 1.00 0.00 C ATOM 927 C VAL A 85 1.701 -9.492 -4.833 1.00 0.00 C ATOM 928 O VAL A 85 0.871 -10.394 -4.941 1.00 0.00 O ATOM 929 CB VAL A 85 1.659 -7.789 -6.679 1.00 0.00 C ATOM 930 CG1 VAL A 85 1.065 -8.878 -7.561 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.144 -6.423 -7.105 1.00 0.00 C ATOM 0 H VAL A 85 2.903 -6.737 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 85 0.269 -7.895 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 85 2.742 -7.805 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.305 -8.672 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.482 -9.844 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.017 -8.898 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.380 -6.257 -8.156 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.064 -6.381 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.619 -5.650 -6.500 1.00 0.00 H new ATOM 941 N ASN A 86 2.950 -9.696 -4.407 1.00 0.00 N ATOM 942 CA ASN A 86 3.432 -11.022 -4.023 1.00 0.00 C ATOM 943 C ASN A 86 3.019 -11.358 -2.588 1.00 0.00 C ATOM 944 O ASN A 86 2.681 -12.504 -2.287 1.00 0.00 O ATOM 945 CB ASN A 86 4.958 -11.094 -4.153 1.00 0.00 C ATOM 946 CG ASN A 86 5.443 -10.766 -5.555 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.768 -11.057 -6.543 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.619 -10.152 -5.649 1.00 0.00 N ATOM 0 H ASN A 86 3.647 -8.956 -4.320 1.00 0.00 H new ATOM 0 HA ASN A 86 2.981 -11.752 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.412 -10.401 -3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.295 -12.094 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.993 -9.904 -6.565 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.147 -9.929 -4.805 1.00 0.00 H new ATOM 955 N GLU A 87 3.047 -10.351 -1.710 1.00 0.00 N ATOM 956 CA GLU A 87 2.673 -10.535 -0.307 1.00 0.00 C ATOM 957 C GLU A 87 1.165 -10.742 -0.162 1.00 0.00 C ATOM 958 O GLU A 87 0.721 -11.557 0.649 1.00 0.00 O ATOM 959 CB GLU A 87 3.109 -9.325 0.527 1.00 0.00 C ATOM 960 CG GLU A 87 4.617 -9.140 0.605 1.00 0.00 C ATOM 961 CD GLU A 87 5.282 -10.109 1.565 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.535 -11.264 1.162 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.553 -9.710 2.718 1.00 0.00 O ATOM 0 H GLU A 87 3.325 -9.399 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 87 3.183 -11.426 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.664 -8.425 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.713 -9.431 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.046 -9.269 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.837 -8.119 0.917 1.00 0.00 H new ATOM 970 N PHE A 88 0.385 -10.003 -0.953 1.00 0.00 N ATOM 971 CA PHE A 88 -1.073 -10.105 -0.910 1.00 0.00 C ATOM 972 C PHE A 88 -1.621 -10.966 -2.054 1.00 0.00 C ATOM 973 O PHE A 88 -2.839 -11.086 -2.205 1.00 0.00 O ATOM 974 CB PHE A 88 -1.704 -8.710 -0.979 1.00 0.00 C ATOM 975 CG PHE A 88 -1.421 -7.847 0.219 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.187 -7.237 0.379 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.397 -7.639 1.180 1.00 0.00 C ATOM 978 CE1 PHE A 88 0.069 -6.438 1.476 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.148 -6.840 2.278 1.00 0.00 C ATOM 980 CZ PHE A 88 -0.914 -6.238 2.426 1.00 0.00 C ATOM 0 H PHE A 88 0.739 -9.328 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.335 -10.586 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.340 -8.203 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.783 -8.816 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.583 -7.388 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.364 -8.107 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.036 -5.970 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.917 -6.686 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.718 -5.611 3.283 1.00 0.00 H new ATOM 990 N SER A 89 -0.725 -11.573 -2.851 1.00 0.00 N ATOM 991 CA SER A 89 -1.135 -12.402 -3.989 1.00 0.00 C ATOM 992 C SER A 89 -2.233 -11.706 -4.796 1.00 0.00 C ATOM 993 O SER A 89 -3.299 -12.274 -5.044 1.00 0.00 O ATOM 994 CB SER A 89 -1.612 -13.776 -3.503 1.00 0.00 C ATOM 995 OG SER A 89 -0.576 -14.465 -2.824 1.00 0.00 O ATOM 0 H SER A 89 0.285 -11.503 -2.726 1.00 0.00 H new ATOM 0 HA SER A 89 -0.273 -12.545 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.468 -13.653 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.951 -14.368 -4.353 1.00 0.00 H new ATOM 0 HG SER A 89 -0.906 -15.337 -2.523 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.955 -10.467 -5.207 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.917 -9.673 -5.963 1.00 0.00 C ATOM 1003 C LEU A 90 -2.839 -9.974 -7.458 1.00 0.00 C ATOM 1004 O LEU A 90 -1.888 -10.602 -7.928 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.678 -8.183 -5.706 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.686 -7.773 -4.229 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.485 -6.273 -4.086 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.984 -8.204 -3.560 1.00 0.00 C ATOM 0 H LEU A 90 -1.069 -9.994 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.918 -9.941 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.718 -7.904 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.444 -7.611 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.858 -8.278 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.494 -6.004 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.528 -5.991 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.289 -5.747 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.970 -7.904 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.827 -7.730 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.085 -9.287 -3.626 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.848 -9.519 -8.201 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.900 -9.741 -9.645 1.00 0.00 C ATOM 1022 C LYS A 91 -4.666 -8.624 -10.357 1.00 0.00 C ATOM 1023 O LYS A 91 -5.544 -7.984 -9.773 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.539 -11.101 -9.960 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.979 -11.243 -9.482 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.057 -11.562 -7.995 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.494 -11.784 -7.550 1.00 0.00 C ATOM 1028 NZ LYS A 91 -7.589 -12.079 -6.092 1.00 0.00 N ATOM 0 H LYS A 91 -4.639 -8.995 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.874 -9.736 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.509 -11.263 -11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.938 -11.887 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.521 -10.319 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.473 -12.032 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.466 -12.453 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.619 -10.744 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.085 -10.898 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.925 -12.610 -8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.585 -12.224 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.046 -12.939 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.202 -11.280 -5.550 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.318 -8.402 -11.626 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.974 -7.372 -12.418 1.00 0.00 C ATOM 1044 C GLY A 92 -4.301 -6.008 -12.323 1.00 0.00 C ATOM 1045 O GLY A 92 -4.628 -5.105 -13.095 1.00 0.00 O ATOM 0 H GLY A 92 -3.591 -8.920 -12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.994 -7.686 -13.462 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.010 -7.280 -12.093 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.362 -5.850 -11.384 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.659 -4.582 -11.209 1.00 0.00 C ATOM 1051 C VAL A 93 -1.547 -4.424 -12.246 1.00 0.00 C ATOM 1052 O VAL A 93 -0.796 -5.364 -12.516 1.00 0.00 O ATOM 1053 CB VAL A 93 -2.070 -4.450 -9.784 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -1.016 -5.517 -9.518 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.496 -3.058 -9.566 1.00 0.00 C ATOM 0 H VAL A 93 -3.074 -6.584 -10.737 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.391 -3.788 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.882 -4.602 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.623 -5.396 -8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.466 -6.505 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.205 -5.414 -10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.087 -2.987 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.705 -2.873 -10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.284 -2.316 -9.691 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.455 -3.229 -12.829 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.447 -2.942 -13.847 1.00 0.00 C ATOM 1067 C ASP A 94 0.672 -2.063 -13.288 1.00 0.00 C ATOM 1068 O ASP A 94 0.420 -1.118 -12.538 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.104 -2.262 -15.051 1.00 0.00 C ATOM 1070 CG ASP A 94 -0.157 -2.110 -16.223 1.00 0.00 C ATOM 1071 OD1 ASP A 94 0.210 -3.138 -16.831 1.00 0.00 O ATOM 1072 OD2 ASP A 94 0.221 -0.964 -16.532 1.00 0.00 O ATOM 0 H ASP A 94 -2.068 -2.443 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.003 -3.886 -14.164 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.972 -2.843 -15.363 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.469 -1.279 -14.754 1.00 0.00 H new ATOM 1077 N PHE A 95 1.912 -2.384 -13.667 1.00 0.00 N ATOM 1078 CA PHE A 95 3.085 -1.636 -13.208 1.00 0.00 C ATOM 1079 C PHE A 95 3.381 -0.436 -14.110 1.00 0.00 C ATOM 1080 O PHE A 95 3.963 0.550 -13.655 1.00 0.00 O ATOM 1081 CB PHE A 95 4.307 -2.553 -13.123 1.00 0.00 C ATOM 1082 CG PHE A 95 4.193 -3.606 -12.056 1.00 0.00 C ATOM 1083 CD1 PHE A 95 3.628 -4.841 -12.337 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.648 -3.359 -10.772 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.521 -5.809 -11.355 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.544 -4.322 -9.788 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.980 -5.548 -10.079 1.00 0.00 C ATOM 0 H PHE A 95 2.130 -3.160 -14.293 1.00 0.00 H new ATOM 0 HA PHE A 95 2.860 -1.253 -12.212 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.455 -3.039 -14.088 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.193 -1.948 -12.932 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.268 -5.049 -13.334 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.090 -2.402 -10.537 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.079 -6.767 -11.586 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.904 -4.116 -8.791 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.898 -6.302 -9.310 1.00 0.00 H new ATOM 1097 N GLN A 96 2.989 -0.518 -15.385 1.00 0.00 N ATOM 1098 CA GLN A 96 3.194 0.593 -16.320 1.00 0.00 C ATOM 1099 C GLN A 96 2.432 1.831 -15.840 1.00 0.00 C ATOM 1100 O GLN A 96 2.843 2.964 -16.098 1.00 0.00 O ATOM 1101 CB GLN A 96 2.740 0.214 -17.736 1.00 0.00 C ATOM 1102 CG GLN A 96 3.318 -1.102 -18.241 1.00 0.00 C ATOM 1103 CD GLN A 96 4.835 -1.098 -18.291 1.00 0.00 C ATOM 1104 OE1 GLN A 96 5.500 -1.453 -17.318 1.00 0.00 O ATOM 1105 NE2 GLN A 96 5.393 -0.695 -19.429 1.00 0.00 N ATOM 0 H GLN A 96 2.532 -1.334 -15.791 1.00 0.00 H new ATOM 0 HA GLN A 96 4.260 0.817 -16.352 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.652 0.151 -17.753 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.024 1.011 -18.423 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.983 -1.913 -17.594 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.927 -1.307 -19.238 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.805 -0.409 -20.212 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.409 -0.672 -19.519 1.00 0.00 H new ATOM 1114 N LYS A 97 1.317 1.597 -15.138 1.00 0.00 N ATOM 1115 CA LYS A 97 0.492 2.672 -14.588 1.00 0.00 C ATOM 1116 C LYS A 97 1.232 3.431 -13.483 1.00 0.00 C ATOM 1117 O LYS A 97 1.039 4.636 -13.319 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.812 2.098 -14.021 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.669 1.375 -15.049 1.00 0.00 C ATOM 1120 CD LYS A 97 -2.089 2.301 -16.180 1.00 0.00 C ATOM 1121 CE LYS A 97 -3.053 1.615 -17.138 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.428 0.455 -17.833 1.00 0.00 N ATOM 0 H LYS A 97 0.965 0.661 -14.937 1.00 0.00 H new ATOM 0 HA LYS A 97 0.269 3.367 -15.398 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.572 1.407 -13.213 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.394 2.909 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.114 0.530 -15.457 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.556 0.968 -14.563 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.560 3.192 -15.765 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.206 2.632 -16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.930 1.276 -16.587 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.400 2.335 -17.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.536 0.567 -18.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.417 0.411 -17.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.894 -0.424 -17.530 1.00 0.00 H new ATOM 1136 N PHE A 98 2.075 2.718 -12.728 1.00 0.00 N ATOM 1137 CA PHE A 98 2.832 3.328 -11.632 1.00 0.00 C ATOM 1138 C PHE A 98 4.275 3.639 -12.044 1.00 0.00 C ATOM 1139 O PHE A 98 5.185 3.585 -11.212 1.00 0.00 O ATOM 1140 CB PHE A 98 2.841 2.404 -10.407 1.00 0.00 C ATOM 1141 CG PHE A 98 1.486 1.888 -10.013 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.467 2.760 -9.664 1.00 0.00 C ATOM 1143 CD2 PHE A 98 1.235 0.525 -9.988 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.777 2.282 -9.299 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.006 0.043 -9.624 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.012 0.921 -9.279 1.00 0.00 C ATOM 0 H PHE A 98 2.249 1.721 -12.856 1.00 0.00 H new ATOM 0 HA PHE A 98 2.337 4.266 -11.381 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.495 1.556 -10.611 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.271 2.943 -9.563 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.647 3.825 -9.677 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.019 -0.167 -10.256 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.564 2.971 -9.030 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.189 -1.021 -9.609 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.983 0.545 -8.993 1.00 0.00 H new ATOM 1156 N CYS A 99 4.487 3.969 -13.320 1.00 0.00 N ATOM 1157 CA CYS A 99 5.826 4.290 -13.811 1.00 0.00 C ATOM 1158 C CYS A 99 6.168 5.753 -13.520 1.00 0.00 C ATOM 1159 O CYS A 99 6.322 6.567 -14.433 1.00 0.00 O ATOM 1160 CB CYS A 99 5.932 3.997 -15.314 1.00 0.00 C ATOM 1161 SG CYS A 99 7.602 4.165 -15.987 1.00 0.00 S ATOM 0 H CYS A 99 3.753 4.020 -14.027 1.00 0.00 H new ATOM 0 HA CYS A 99 6.546 3.660 -13.288 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.578 2.983 -15.501 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.266 4.672 -15.852 1.00 0.00 H new ATOM 0 HG CYS A 99 8.292 4.975 -15.240 1.00 0.00 H new ATOM 1167 N MET A 100 6.278 6.076 -12.229 1.00 0.00 N ATOM 1168 CA MET A 100 6.594 7.434 -11.791 1.00 0.00 C ATOM 1169 C MET A 100 7.165 7.428 -10.372 1.00 0.00 C ATOM 1170 O MET A 100 7.094 6.418 -9.668 1.00 0.00 O ATOM 1171 CB MET A 100 5.339 8.313 -11.848 1.00 0.00 C ATOM 1172 CG MET A 100 4.327 8.003 -10.753 1.00 0.00 C ATOM 1173 SD MET A 100 2.693 8.677 -11.101 1.00 0.00 S ATOM 1174 CE MET A 100 2.156 7.601 -12.429 1.00 0.00 C ATOM 0 H MET A 100 6.152 5.410 -11.467 1.00 0.00 H new ATOM 0 HA MET A 100 7.347 7.844 -12.464 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.635 9.359 -11.772 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.861 8.187 -12.819 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.251 6.923 -10.630 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.687 8.406 -9.807 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.070 7.643 -12.515 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.607 7.927 -13.366 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.464 6.577 -12.215 1.00 0.00 H new ATOM 1184 N SER A 101 7.724 8.564 -9.957 1.00 0.00 N ATOM 1185 CA SER A 101 8.307 8.689 -8.624 1.00 0.00 C ATOM 1186 C SER A 101 7.222 8.781 -7.550 1.00 0.00 C ATOM 1187 O SER A 101 6.062 9.078 -7.846 1.00 0.00 O ATOM 1188 CB SER A 101 9.225 9.913 -8.549 1.00 0.00 C ATOM 1189 OG SER A 101 8.502 11.113 -8.769 1.00 0.00 O ATOM 0 H SER A 101 7.785 9.409 -10.525 1.00 0.00 H new ATOM 0 HA SER A 101 8.898 7.792 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.707 9.950 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.018 9.822 -9.292 1.00 0.00 H new ATOM 0 HG SER A 101 9.113 11.878 -8.714 1.00 0.00 H new ATOM 1195 N GLY A 102 7.613 8.519 -6.302 1.00 0.00 N ATOM 1196 CA GLY A 102 6.676 8.570 -5.190 1.00 0.00 C ATOM 1197 C GLY A 102 6.034 9.936 -5.027 1.00 0.00 C ATOM 1198 O GLY A 102 4.839 10.028 -4.742 1.00 0.00 O ATOM 0 H GLY A 102 8.568 8.271 -6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.897 7.823 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.196 8.305 -4.269 1.00 0.00 H new ATOM 1202 N ALA A 103 6.828 10.995 -5.204 1.00 0.00 N ATOM 1203 CA ALA A 103 6.323 12.363 -5.091 1.00 0.00 C ATOM 1204 C ALA A 103 5.165 12.595 -6.063 1.00 0.00 C ATOM 1205 O ALA A 103 4.175 13.243 -5.719 1.00 0.00 O ATOM 1206 CB ALA A 103 7.442 13.362 -5.351 1.00 0.00 C ATOM 0 H ALA A 103 7.821 10.930 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 103 5.952 12.509 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.052 14.376 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.238 13.215 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.839 13.211 -6.355 1.00 0.00 H new ATOM 1212 N ALA A 104 5.300 12.053 -7.277 1.00 0.00 N ATOM 1213 CA ALA A 104 4.266 12.181 -8.301 1.00 0.00 C ATOM 1214 C ALA A 104 3.046 11.338 -7.939 1.00 0.00 C ATOM 1215 O ALA A 104 1.908 11.794 -8.049 1.00 0.00 O ATOM 1216 CB ALA A 104 4.810 11.760 -9.658 1.00 0.00 C ATOM 0 H ALA A 104 6.118 11.521 -7.572 1.00 0.00 H new ATOM 0 HA ALA A 104 3.962 13.227 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.028 11.861 -10.411 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.654 12.396 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.138 10.721 -9.612 1.00 0.00 H new ATOM 1222 N LEU A 105 3.306 10.101 -7.507 1.00 0.00 N ATOM 1223 CA LEU A 105 2.250 9.170 -7.111 1.00 0.00 C ATOM 1224 C LEU A 105 1.396 9.756 -5.985 1.00 0.00 C ATOM 1225 O LEU A 105 0.170 9.632 -6.001 1.00 0.00 O ATOM 1226 CB LEU A 105 2.872 7.842 -6.668 1.00 0.00 C ATOM 1227 CG LEU A 105 1.920 6.646 -6.647 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.469 6.294 -8.058 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.590 5.453 -5.982 1.00 0.00 C ATOM 0 H LEU A 105 4.248 9.720 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 105 1.601 8.996 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.704 7.611 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.288 7.971 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 105 1.037 6.914 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.792 5.440 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.953 7.147 -8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.338 6.042 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.902 4.608 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.488 5.184 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.860 5.712 -4.958 1.00 0.00 H new ATOM 1241 N CYS A 106 2.048 10.391 -5.008 1.00 0.00 N ATOM 1242 CA CYS A 106 1.345 11.011 -3.884 1.00 0.00 C ATOM 1243 C CYS A 106 0.484 12.179 -4.368 1.00 0.00 C ATOM 1244 O CYS A 106 -0.655 12.348 -3.927 1.00 0.00 O ATOM 1245 CB CYS A 106 2.347 11.496 -2.831 1.00 0.00 C ATOM 1246 SG CYS A 106 1.587 12.262 -1.379 1.00 0.00 S ATOM 0 H CYS A 106 3.063 10.489 -4.973 1.00 0.00 H new ATOM 0 HA CYS A 106 0.694 10.263 -3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.953 10.650 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 106 3.024 12.214 -3.294 1.00 0.00 H new ATOM 0 HG CYS A 106 0.383 12.652 -1.675 1.00 0.00 H new ATOM 1252 N ALA A 107 1.044 12.980 -5.279 1.00 0.00 N ATOM 1253 CA ALA A 107 0.338 14.130 -5.845 1.00 0.00 C ATOM 1254 C ALA A 107 -0.926 13.698 -6.593 1.00 0.00 C ATOM 1255 O ALA A 107 -1.919 14.426 -6.617 1.00 0.00 O ATOM 1256 CB ALA A 107 1.259 14.907 -6.775 1.00 0.00 C ATOM 0 H ALA A 107 1.989 12.851 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 107 0.035 14.775 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.722 15.760 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.126 15.260 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.590 14.258 -7.586 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.879 12.509 -7.203 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.015 11.973 -7.955 1.00 0.00 C ATOM 1264 C LEU A 108 -3.259 11.805 -7.077 1.00 0.00 C ATOM 1265 O LEU A 108 -4.383 11.980 -7.548 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.648 10.624 -8.582 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.691 10.692 -9.775 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.410 9.297 -10.309 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.262 11.578 -10.874 1.00 0.00 C ATOM 0 H LEU A 108 -0.062 11.898 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.250 12.694 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.199 9.996 -7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.565 10.130 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 108 0.248 11.130 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.272 9.362 -11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.044 8.692 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.344 8.835 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.566 11.612 -11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.216 11.171 -11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.414 12.586 -10.487 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.049 11.474 -5.800 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.163 11.272 -4.888 1.00 0.00 C ATOM 1283 C GLY A 109 -4.824 9.916 -5.074 1.00 0.00 C ATOM 1284 O GLY A 109 -4.432 9.142 -5.949 1.00 0.00 O ATOM 0 H GLY A 109 -2.127 11.343 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.810 11.363 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.902 12.058 -5.042 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.827 9.629 -4.244 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.551 8.358 -4.316 1.00 0.00 C ATOM 1290 C LYS A 110 -7.250 8.190 -5.666 1.00 0.00 C ATOM 1291 O LYS A 110 -7.159 7.131 -6.285 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.580 8.260 -3.188 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.361 6.953 -3.189 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.357 6.893 -2.043 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.530 7.835 -2.265 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.343 7.451 -3.454 1.00 0.00 N ATOM 0 H LYS A 110 -6.157 10.259 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.819 7.558 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.069 8.368 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.279 9.092 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.889 6.845 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.668 6.115 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.725 5.873 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.855 7.151 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.164 7.838 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.158 8.851 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.269 7.921 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.849 7.743 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.478 6.420 -3.464 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.951 9.235 -6.109 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.671 9.212 -7.382 1.00 0.00 C ATOM 1312 C GLU A 111 -7.780 8.728 -8.527 1.00 0.00 C ATOM 1313 O GLU A 111 -8.003 7.648 -9.075 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.219 10.608 -7.702 1.00 0.00 C ATOM 1315 CG GLU A 111 -9.840 10.725 -9.087 1.00 0.00 C ATOM 1316 CD GLU A 111 -11.019 9.789 -9.283 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -12.146 10.161 -8.893 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -10.815 8.683 -9.828 1.00 0.00 O ATOM 0 H GLU A 111 -8.035 10.115 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.498 8.509 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.968 10.874 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.410 11.334 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.167 11.752 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.082 10.510 -9.840 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.770 9.526 -8.876 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.857 9.184 -9.966 1.00 0.00 C ATOM 1327 C CYS A 112 -5.205 7.817 -9.750 1.00 0.00 C ATOM 1328 O CYS A 112 -5.069 7.037 -10.693 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.780 10.261 -10.114 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.411 11.865 -10.662 1.00 0.00 S ATOM 0 H CYS A 112 -6.564 10.414 -8.419 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.444 9.133 -10.883 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.275 10.389 -9.156 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.030 9.915 -10.826 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.427 12.710 -10.755 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.812 7.527 -8.506 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.181 6.250 -8.180 1.00 0.00 C ATOM 1338 C PHE A 113 -5.135 5.084 -8.444 1.00 0.00 C ATOM 1339 O PHE A 113 -4.731 4.064 -9.003 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.729 6.234 -6.718 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.901 5.033 -6.364 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.532 5.038 -6.568 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.492 3.900 -5.831 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.766 3.936 -6.245 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.732 2.794 -5.507 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.367 2.811 -5.714 1.00 0.00 C ATOM 0 H PHE A 113 -4.920 8.159 -7.712 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.308 6.134 -8.823 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.153 7.136 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.607 6.264 -6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.058 5.914 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.559 3.881 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.302 3.953 -6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.205 1.916 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.770 1.947 -5.461 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.398 5.241 -8.036 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.407 4.203 -8.244 1.00 0.00 C ATOM 1358 C LEU A 114 -7.668 3.995 -9.736 1.00 0.00 C ATOM 1359 O LEU A 114 -8.006 2.891 -10.161 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.706 4.553 -7.511 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.890 3.872 -6.149 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.682 4.113 -5.254 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.160 4.369 -5.474 1.00 0.00 C ATOM 0 H LEU A 114 -6.743 6.075 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.025 3.270 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.744 5.633 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.548 4.286 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.981 2.799 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.836 3.620 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.789 3.708 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.554 5.184 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.276 3.876 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.095 5.447 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.020 4.141 -6.104 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.521 5.063 -10.526 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.700 4.976 -11.976 1.00 0.00 C ATOM 1377 C GLU A 115 -6.548 4.184 -12.604 1.00 0.00 C ATOM 1378 O GLU A 115 -6.699 3.595 -13.677 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.771 6.373 -12.601 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.923 7.226 -12.085 1.00 0.00 C ATOM 1381 CD GLU A 115 -10.269 6.536 -12.210 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -10.896 6.647 -13.283 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -10.695 5.887 -11.231 1.00 0.00 O ATOM 0 H GLU A 115 -7.279 5.994 -10.186 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.640 4.460 -12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.833 6.894 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.864 6.272 -13.682 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.744 7.476 -11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.949 8.165 -12.637 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.398 4.173 -11.919 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.213 3.455 -12.383 1.00 0.00 C ATOM 1392 C LEU A 116 -4.234 1.999 -11.918 1.00 0.00 C ATOM 1393 O LEU A 116 -3.807 1.099 -12.645 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.945 4.138 -11.855 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.710 5.565 -12.356 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.576 6.219 -11.582 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.404 5.563 -13.846 1.00 0.00 C ATOM 0 H LEU A 116 -5.267 4.660 -11.032 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.215 3.473 -13.473 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.989 4.156 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.084 3.529 -12.129 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.620 6.143 -12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.422 7.233 -11.950 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.830 6.253 -10.523 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.662 5.641 -11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.240 6.586 -14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.508 4.971 -14.033 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.244 5.131 -14.389 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.734 1.774 -10.701 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.800 0.433 -10.126 1.00 0.00 C ATOM 1411 C ALA A 117 -6.181 -0.200 -10.315 1.00 0.00 C ATOM 1412 O ALA A 117 -7.138 0.476 -10.691 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.438 0.480 -8.649 1.00 0.00 C ATOM 0 H ALA A 117 -5.100 2.508 -10.094 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.079 -0.191 -10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.490 -0.525 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.426 0.869 -8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.138 1.129 -8.123 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.292 -1.520 -10.064 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.556 -2.258 -10.198 1.00 0.00 C ATOM 1421 C PRO A 118 -8.605 -1.850 -9.160 1.00 0.00 C ATOM 1422 O PRO A 118 -8.331 -1.060 -8.255 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.150 -3.726 -9.985 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.665 -3.749 -10.110 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.193 -2.403 -9.654 1.00 0.00 C ATOM 0 HA PRO A 118 -8.023 -2.060 -11.163 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.467 -4.083 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.617 -4.374 -10.727 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.234 -4.542 -9.498 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.363 -3.941 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.031 -2.374 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.251 -2.123 -10.126 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.809 -2.406 -9.311 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.926 -2.131 -8.405 1.00 0.00 C ATOM 1435 C ASP A 119 -10.648 -2.610 -6.976 1.00 0.00 C ATOM 1436 O ASP A 119 -11.156 -2.025 -6.019 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.197 -2.807 -8.931 1.00 0.00 C ATOM 1438 CG ASP A 119 -13.403 -2.553 -8.045 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -14.038 -1.489 -8.197 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.711 -3.419 -7.197 1.00 0.00 O ATOM 0 H ASP A 119 -10.037 -3.057 -10.062 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.058 -1.050 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.407 -2.444 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.027 -3.881 -9.008 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.847 -3.670 -6.835 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.548 -4.206 -5.505 1.00 0.00 C ATOM 1447 C PHE A 120 -8.108 -3.913 -5.083 1.00 0.00 C ATOM 1448 O PHE A 120 -7.870 -3.416 -3.981 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.845 -5.705 -5.431 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.311 -6.032 -5.524 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.109 -6.026 -4.389 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.891 -6.344 -6.743 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.455 -6.323 -4.470 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -13.237 -6.642 -6.830 1.00 0.00 C ATOM 1455 CZ PHE A 120 -14.020 -6.632 -5.693 1.00 0.00 C ATOM 0 H PHE A 120 -9.402 -4.165 -7.608 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.205 -3.696 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.316 -6.212 -6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.452 -6.099 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.672 -5.786 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.283 -6.354 -7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.065 -6.314 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.676 -6.883 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 120 -15.072 -6.865 -5.759 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.154 -4.223 -5.964 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.736 -3.993 -5.679 1.00 0.00 C ATOM 1467 C VAL A 121 -5.454 -2.514 -5.407 1.00 0.00 C ATOM 1468 O VAL A 121 -4.658 -2.184 -4.526 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.840 -4.479 -6.839 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -3.378 -4.156 -6.572 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -5.030 -5.972 -7.072 1.00 0.00 C ATOM 0 H VAL A 121 -7.337 -4.633 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.499 -4.569 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.140 -3.949 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.769 -4.509 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.257 -3.078 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.058 -4.649 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.391 -6.296 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.764 -6.518 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -6.072 -6.171 -7.323 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.106 -1.631 -6.169 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.921 -0.197 -5.987 1.00 0.00 C ATOM 1483 C GLY A 122 -6.130 0.249 -4.548 1.00 0.00 C ATOM 1484 O GLY A 122 -5.406 1.113 -4.053 1.00 0.00 O ATOM 0 H GLY A 122 -6.760 -1.885 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.915 0.078 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.617 0.339 -6.633 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.121 -0.345 -3.879 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.420 -0.014 -2.486 1.00 0.00 C ATOM 1490 C ASP A 123 -6.268 -0.416 -1.567 1.00 0.00 C ATOM 1491 O ASP A 123 -5.817 0.380 -0.747 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.707 -0.711 -2.035 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.943 -0.117 -2.680 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.329 -0.588 -3.770 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.526 0.821 -2.095 1.00 0.00 O ATOM 0 H ASP A 123 -7.730 -1.058 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.555 1.066 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.647 -1.772 -2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.796 -0.638 -0.951 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.798 -1.655 -1.712 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.699 -2.167 -0.893 1.00 0.00 C ATOM 1502 C ILE A 124 -3.450 -1.294 -1.013 1.00 0.00 C ATOM 1503 O ILE A 124 -2.841 -0.925 -0.007 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.327 -3.613 -1.290 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.508 -4.554 -1.048 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.100 -4.082 -0.517 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.192 -6.005 -1.333 1.00 0.00 C ATOM 0 H ILE A 124 -6.162 -2.324 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.052 -2.150 0.138 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.087 -3.628 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.832 -4.458 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.344 -4.243 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.853 -5.102 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.258 -3.427 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.310 -4.052 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.075 -6.614 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.896 -6.115 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.377 -6.333 -0.688 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.079 -0.967 -2.251 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.890 -0.160 -2.506 1.00 0.00 C ATOM 1521 C LEU A 125 -2.019 1.245 -1.919 1.00 0.00 C ATOM 1522 O LEU A 125 -1.215 1.630 -1.073 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.594 -0.088 -4.008 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.308 -1.431 -4.684 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.067 -1.240 -6.174 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.116 -2.119 -4.032 1.00 0.00 C ATOM 0 H LEU A 125 -3.585 -1.249 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.054 -0.650 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.444 0.377 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.736 0.567 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.182 -2.070 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.865 -2.206 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.951 -0.796 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.212 -0.581 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.070 -3.072 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.765 -1.484 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.329 -2.294 -2.977 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.032 2.004 -2.345 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.216 3.370 -1.842 1.00 0.00 C ATOM 1540 C TRP A 126 -3.501 3.393 -0.333 1.00 0.00 C ATOM 1541 O TRP A 126 -3.194 4.382 0.331 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.315 4.113 -2.627 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.216 4.946 -1.758 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -5.136 6.289 -1.540 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.318 4.475 -0.972 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -6.122 6.685 -0.666 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.860 5.588 -0.304 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.897 3.221 -0.771 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.954 5.482 0.551 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.982 3.116 0.078 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.500 4.239 0.730 1.00 0.00 C ATOM 0 H TRP A 126 -3.728 1.703 -3.027 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.276 3.898 -2.001 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.846 4.756 -3.372 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.918 3.385 -3.169 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.405 6.946 -1.988 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.278 7.639 -0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.504 2.348 -1.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.357 6.348 1.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.438 2.150 0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.348 4.124 1.388 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.081 2.323 0.212 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.363 2.276 1.648 1.00 0.00 C ATOM 1564 C GLU A 127 -3.054 2.308 2.438 1.00 0.00 C ATOM 1565 O GLU A 127 -2.862 3.169 3.298 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.177 1.031 2.012 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.688 1.033 3.445 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.463 2.292 3.792 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.667 2.356 3.466 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -5.863 3.214 4.385 1.00 0.00 O ATOM 0 H GLU A 127 -4.361 1.491 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.958 3.151 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.026 0.951 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.560 0.146 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.328 0.164 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.844 0.932 4.127 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.155 1.371 2.132 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.853 1.305 2.796 1.00 0.00 C ATOM 1579 C HIS A 128 0.033 2.467 2.338 1.00 0.00 C ATOM 1580 O HIS A 128 0.811 3.013 3.120 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.170 -0.035 2.496 1.00 0.00 C ATOM 1582 CG HIS A 128 1.134 -0.233 3.212 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.106 -1.108 2.774 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.624 0.335 4.341 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.135 -1.070 3.600 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.870 -0.203 4.559 1.00 0.00 N ATOM 0 H HIS A 128 -2.305 0.648 1.429 1.00 0.00 H new ATOM 0 HA HIS A 128 -1.005 1.384 3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.848 -0.845 2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.002 -0.110 1.422 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.128 1.073 4.955 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.041 -1.651 3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.489 0.030 5.336 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.102 2.836 1.061 1.00 0.00 N ATOM 1596 CA LEU A 129 0.663 3.938 0.479 1.00 0.00 C ATOM 1597 C LEU A 129 0.355 5.249 1.199 1.00 0.00 C ATOM 1598 O LEU A 129 1.266 5.998 1.550 1.00 0.00 O ATOM 1599 CB LEU A 129 0.336 4.071 -1.011 1.00 0.00 C ATOM 1600 CG LEU A 129 1.186 5.078 -1.789 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.649 4.659 -1.794 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.662 5.220 -3.210 1.00 0.00 C ATOM 0 H LEU A 129 -0.740 2.382 0.407 1.00 0.00 H new ATOM 0 HA LEU A 129 1.725 3.721 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.447 3.092 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.712 4.354 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 129 1.115 6.047 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.235 5.389 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.016 4.607 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.746 3.680 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.275 5.939 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.705 4.253 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.370 5.569 -3.184 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.936 5.516 1.417 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.362 6.735 2.100 1.00 0.00 C ATOM 1616 C GLU A 130 -0.854 6.735 3.542 1.00 0.00 C ATOM 1617 O GLU A 130 -0.504 7.783 4.089 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.888 6.861 2.067 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.405 8.203 2.558 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.914 8.315 2.462 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.604 7.869 3.404 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.407 8.849 1.446 1.00 0.00 O ATOM 0 H GLU A 130 -1.700 4.905 1.130 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.937 7.594 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.234 6.701 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.322 6.070 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.098 8.350 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.947 9.001 1.974 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.825 5.545 4.150 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.332 5.378 5.514 1.00 0.00 C ATOM 1631 C ILE A 131 1.146 5.763 5.591 1.00 0.00 C ATOM 1632 O ILE A 131 1.569 6.462 6.513 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.526 3.922 5.995 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -2.011 3.647 6.253 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.296 3.645 7.246 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.328 2.185 6.479 1.00 0.00 C ATOM 0 H ILE A 131 -1.140 4.679 3.712 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.906 6.035 6.167 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.175 3.251 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.331 4.218 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.591 4.009 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.141 2.614 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.353 3.803 7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -0.016 4.320 8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.397 2.068 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -2.040 1.610 5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.776 1.823 7.346 1.00 0.00 H new ATOM 1648 N LEU A 132 1.921 5.301 4.605 1.00 0.00 N ATOM 1649 CA LEU A 132 3.351 5.602 4.525 1.00 0.00 C ATOM 1650 C LEU A 132 3.592 7.114 4.494 1.00 0.00 C ATOM 1651 O LEU A 132 4.574 7.603 5.055 1.00 0.00 O ATOM 1652 CB LEU A 132 3.955 4.956 3.272 1.00 0.00 C ATOM 1653 CG LEU A 132 4.033 3.426 3.301 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.457 2.889 1.942 1.00 0.00 C ATOM 1655 CD2 LEU A 132 4.996 2.960 4.384 1.00 0.00 C ATOM 0 H LEU A 132 1.577 4.713 3.846 1.00 0.00 H new ATOM 0 HA LEU A 132 3.834 5.193 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.365 5.258 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 132 4.960 5.353 3.126 1.00 0.00 H new ATOM 0 HG LEU A 132 3.042 3.035 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.507 1.801 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.731 3.192 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.437 3.289 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.038 1.871 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 132 5.990 3.361 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.651 3.314 5.355 1.00 0.00 H new ATOM 1667 N GLN A 133 2.690 7.845 3.831 1.00 0.00 N ATOM 1668 CA GLN A 133 2.792 9.302 3.728 1.00 0.00 C ATOM 1669 C GLN A 133 2.754 9.951 5.108 1.00 0.00 C ATOM 1670 O GLN A 133 3.642 10.727 5.461 1.00 0.00 O ATOM 1671 CB GLN A 133 1.656 9.862 2.866 1.00 0.00 C ATOM 1672 CG GLN A 133 1.592 9.272 1.468 1.00 0.00 C ATOM 1673 CD GLN A 133 0.378 9.739 0.686 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.116 10.849 0.885 1.00 0.00 O ATOM 1675 NE2 GLN A 133 -0.112 8.889 -0.210 1.00 0.00 N ATOM 0 H GLN A 133 1.879 7.449 3.357 1.00 0.00 H new ATOM 0 HA GLN A 133 3.747 9.535 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.707 9.679 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.772 10.943 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.496 9.543 0.923 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.577 8.184 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.328 7.979 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.928 9.147 -0.765 1.00 0.00 H new