USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 80 HIS : no HD1:sc= -0.322 X(o=-2.1,f=-2.1) USER MOD Set 1.2: A 99 GLN : amide:sc= -1.77 K(o=-2.1,f=-3.9!) USER MOD Set 2.1: A 34 TYR OH : rot 165:sc= 1.04 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 140:sc= 1.28 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc=-0.00296 K(o=-0.003,f=-1.2) USER MOD Single : A 61 SER OG : rot 180:sc= -1.4 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.0156 (180deg=-0.164) USER MOD Single : A 78 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.0037) USER MOD Single : A 84 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.1!) USER MOD Single : A 86 CYS SG : rot -40:sc= -3.2 USER MOD Single : A 93 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0.034) USER MOD Single : A 95 HIS : no HD1:sc=-0.00923 X(o=-0.0092,f=-0.12) USER MOD Single : A 100 LYS NZ :NH3+ -131:sc= 0.0415 (180deg=-1.11) USER MOD Single : A 101 THR OG1 : rot -160:sc= -0.153 USER MOD Single : A 103 THR OG1 : rot 170:sc= -1.53 USER MOD Single : A 106 GLN : amide:sc= -2.37! C(o=-2.4!,f=-6.7!) USER MOD Single : A 108 THR OG1 : rot 89:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.611 8.040 -3.360 1.00 0.00 N ATOM 428 CA SER A 31 -10.944 7.448 -3.325 1.00 0.00 C ATOM 429 C SER A 31 -10.953 6.182 -2.472 1.00 0.00 C ATOM 430 O SER A 31 -9.962 5.455 -2.413 1.00 0.00 O ATOM 431 CB SER A 31 -11.419 7.125 -4.743 1.00 0.00 C ATOM 432 OG SER A 31 -11.943 8.278 -5.380 1.00 0.00 O ATOM 0 HA SER A 31 -11.625 8.172 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.588 6.729 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.182 6.347 -4.706 1.00 0.00 H new ATOM 0 HG SER A 31 -12.238 8.046 -6.285 1.00 0.00 H new ATOM 438 N ALA A 32 -12.079 5.927 -1.814 1.00 0.00 N ATOM 439 CA ALA A 32 -12.217 4.749 -0.966 1.00 0.00 C ATOM 440 C ALA A 32 -12.201 3.469 -1.794 1.00 0.00 C ATOM 441 O ALA A 32 -11.411 2.560 -1.537 1.00 0.00 O ATOM 442 CB ALA A 32 -13.497 4.835 -0.149 1.00 0.00 C ATOM 0 H ALA A 32 -12.908 6.520 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.365 4.720 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.588 3.949 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.468 5.725 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.354 4.893 -0.820 1.00 0.00 H new ATOM 448 N ASP A 33 -13.078 3.404 -2.791 1.00 0.00 N ATOM 449 CA ASP A 33 -13.165 2.234 -3.658 1.00 0.00 C ATOM 450 C ASP A 33 -11.854 2.013 -4.405 1.00 0.00 C ATOM 451 O ASP A 33 -11.493 0.879 -4.722 1.00 0.00 O ATOM 452 CB ASP A 33 -14.316 2.398 -4.653 1.00 0.00 C ATOM 453 CG ASP A 33 -15.530 1.571 -4.276 1.00 0.00 C ATOM 454 OD1 ASP A 33 -16.103 1.818 -3.195 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.905 0.676 -5.062 1.00 0.00 O ATOM 0 H ASP A 33 -13.738 4.147 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.356 1.361 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.599 3.449 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.977 2.108 -5.647 1.00 0.00 H new ATOM 460 N TYR A 34 -11.145 3.101 -4.685 1.00 0.00 N ATOM 461 CA TYR A 34 -9.874 3.024 -5.395 1.00 0.00 C ATOM 462 C TYR A 34 -8.870 2.171 -4.626 1.00 0.00 C ATOM 463 O TYR A 34 -8.319 1.209 -5.161 1.00 0.00 O ATOM 464 CB TYR A 34 -9.304 4.426 -5.618 1.00 0.00 C ATOM 465 CG TYR A 34 -8.006 4.439 -6.392 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.873 3.721 -7.574 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.912 5.167 -5.941 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.687 3.727 -8.284 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.723 5.180 -6.645 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.616 4.459 -7.816 1.00 0.00 C ATOM 471 OH TYR A 34 -4.434 4.469 -8.520 1.00 0.00 O ATOM 0 H TYR A 34 -11.429 4.047 -4.431 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.056 2.555 -6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.040 5.027 -6.151 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.144 4.902 -4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.710 3.148 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.992 5.733 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.600 3.162 -9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.882 5.751 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.869 5.203 -8.201 1.00 0.00 H new ATOM 481 N LEU A 35 -8.637 2.531 -3.368 1.00 0.00 N ATOM 482 CA LEU A 35 -7.700 1.798 -2.524 1.00 0.00 C ATOM 483 C LEU A 35 -8.197 0.381 -2.260 1.00 0.00 C ATOM 484 O LEU A 35 -7.404 -0.545 -2.096 1.00 0.00 O ATOM 485 CB LEU A 35 -7.491 2.535 -1.200 1.00 0.00 C ATOM 486 CG LEU A 35 -7.071 3.999 -1.331 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.123 4.693 0.021 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.677 4.101 -1.931 1.00 0.00 C ATOM 0 H LEU A 35 -9.084 3.326 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.748 1.735 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.417 2.489 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.732 2.006 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.771 4.499 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.821 5.734 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.139 4.651 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.446 4.192 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.394 5.150 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.965 3.585 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.672 3.641 -2.919 1.00 0.00 H new ATOM 500 N ARG A 36 -9.516 0.221 -2.218 1.00 0.00 N ATOM 501 CA ARG A 36 -10.119 -1.084 -1.972 1.00 0.00 C ATOM 502 C ARG A 36 -9.873 -2.028 -3.144 1.00 0.00 C ATOM 503 O ARG A 36 -9.262 -3.085 -2.984 1.00 0.00 O ATOM 504 CB ARG A 36 -11.622 -0.936 -1.729 1.00 0.00 C ATOM 505 CG ARG A 36 -12.217 -2.061 -0.897 1.00 0.00 C ATOM 506 CD ARG A 36 -13.684 -2.282 -1.227 1.00 0.00 C ATOM 507 NE ARG A 36 -13.872 -2.750 -2.598 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.015 -3.252 -3.060 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.074 -3.350 -2.265 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.102 -3.654 -4.321 1.00 0.00 N ATOM 0 H ARG A 36 -10.187 0.978 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.653 -1.509 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.809 0.014 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.135 -0.895 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.660 -2.981 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.113 -1.826 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.106 -3.010 -0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.232 -1.351 -1.083 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.081 -2.688 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.014 -3.040 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.947 -3.735 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.293 -3.579 -4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.978 -4.039 -4.674 1.00 0.00 H new ATOM 524 N GLU A 37 -10.353 -1.641 -4.321 1.00 0.00 N ATOM 525 CA GLU A 37 -10.186 -2.454 -5.520 1.00 0.00 C ATOM 526 C GLU A 37 -8.710 -2.619 -5.866 1.00 0.00 C ATOM 527 O GLU A 37 -8.270 -3.699 -6.259 1.00 0.00 O ATOM 528 CB GLU A 37 -10.930 -1.822 -6.698 1.00 0.00 C ATOM 529 CG GLU A 37 -12.414 -2.150 -6.727 1.00 0.00 C ATOM 530 CD GLU A 37 -13.173 -1.328 -7.749 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.681 -1.198 -8.890 1.00 0.00 O ATOM 532 OE2 GLU A 37 -14.259 -0.813 -7.409 1.00 0.00 O ATOM 0 H GLU A 37 -10.861 -0.769 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.606 -3.440 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.806 -0.740 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.474 -2.160 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.544 -3.209 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.840 -1.977 -5.739 1.00 0.00 H new ATOM 539 N LYS A 38 -7.948 -1.539 -5.716 1.00 0.00 N ATOM 540 CA LYS A 38 -6.520 -1.564 -6.012 1.00 0.00 C ATOM 541 C LYS A 38 -5.800 -2.588 -5.139 1.00 0.00 C ATOM 542 O LYS A 38 -5.127 -3.486 -5.645 1.00 0.00 O ATOM 543 CB LYS A 38 -5.910 -0.177 -5.801 1.00 0.00 C ATOM 544 CG LYS A 38 -4.477 -0.061 -6.297 1.00 0.00 C ATOM 545 CD LYS A 38 -4.159 1.353 -6.754 1.00 0.00 C ATOM 546 CE LYS A 38 -2.686 1.510 -7.093 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.463 2.562 -8.124 1.00 0.00 N ATOM 0 H LYS A 38 -8.296 -0.637 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.396 -1.853 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.524 0.563 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.939 0.066 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.791 -0.350 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.319 -0.755 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.763 1.599 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.430 2.060 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.130 1.763 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.293 0.559 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.613 3.111 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.333 2.115 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.287 3.196 -8.157 1.00 0.00 H new ATOM 561 N LEU A 39 -5.947 -2.445 -3.826 1.00 0.00 N ATOM 562 CA LEU A 39 -5.311 -3.358 -2.883 1.00 0.00 C ATOM 563 C LEU A 39 -5.789 -4.789 -3.103 1.00 0.00 C ATOM 564 O LEU A 39 -4.999 -5.732 -3.054 1.00 0.00 O ATOM 565 CB LEU A 39 -5.605 -2.924 -1.445 1.00 0.00 C ATOM 566 CG LEU A 39 -4.866 -1.667 -0.984 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.264 -1.307 0.438 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.362 -1.868 -1.084 1.00 0.00 C ATOM 0 H LEU A 39 -6.500 -1.707 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.235 -3.325 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.677 -2.754 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.348 -3.744 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.147 -0.842 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.729 -0.410 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.337 -1.122 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.012 -2.131 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.851 -0.964 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.064 -2.705 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.091 -2.079 -2.119 1.00 0.00 H new ATOM 580 N ARG A 40 -7.086 -4.944 -3.346 1.00 0.00 N ATOM 581 CA ARG A 40 -7.671 -6.261 -3.574 1.00 0.00 C ATOM 582 C ARG A 40 -7.024 -6.946 -4.763 1.00 0.00 C ATOM 583 O ARG A 40 -6.688 -8.129 -4.703 1.00 0.00 O ATOM 584 CB ARG A 40 -9.180 -6.144 -3.793 1.00 0.00 C ATOM 585 CG ARG A 40 -9.895 -7.485 -3.833 1.00 0.00 C ATOM 586 CD ARG A 40 -11.117 -7.438 -4.735 1.00 0.00 C ATOM 587 NE ARG A 40 -10.757 -7.493 -6.149 1.00 0.00 N ATOM 588 CZ ARG A 40 -11.570 -7.125 -7.137 1.00 0.00 C ATOM 589 NH1 ARG A 40 -12.789 -6.674 -6.868 1.00 0.00 N ATOM 590 NH2 ARG A 40 -11.163 -7.209 -8.397 1.00 0.00 N ATOM 0 H ARG A 40 -7.753 -4.174 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.488 -6.868 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.608 -5.537 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.363 -5.616 -4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.209 -8.254 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.197 -7.768 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.776 -8.273 -4.496 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.677 -6.524 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.827 -7.834 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.107 -6.608 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.408 -6.393 -7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.227 -7.556 -8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.786 -6.927 -9.154 1.00 0.00 H new ATOM 604 N GLN A 41 -6.854 -6.204 -5.843 1.00 0.00 N ATOM 605 CA GLN A 41 -6.248 -6.756 -7.040 1.00 0.00 C ATOM 606 C GLN A 41 -4.740 -6.905 -6.871 1.00 0.00 C ATOM 607 O GLN A 41 -4.168 -7.943 -7.201 1.00 0.00 O ATOM 608 CB GLN A 41 -6.559 -5.878 -8.254 1.00 0.00 C ATOM 609 CG GLN A 41 -8.042 -5.784 -8.574 1.00 0.00 C ATOM 610 CD GLN A 41 -8.321 -5.831 -10.064 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.504 -6.904 -10.639 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.355 -4.664 -10.696 1.00 0.00 N ATOM 0 H GLN A 41 -7.125 -5.223 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.673 -7.746 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.170 -4.875 -8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.033 -6.274 -9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.568 -6.603 -8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.441 -4.857 -8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.198 -3.799 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.539 -4.632 -11.699 1.00 0.00 H new ATOM 621 N ASP A 42 -4.100 -5.860 -6.353 1.00 0.00 N ATOM 622 CA ASP A 42 -2.658 -5.877 -6.140 1.00 0.00 C ATOM 623 C ASP A 42 -2.262 -7.001 -5.188 1.00 0.00 C ATOM 624 O ASP A 42 -1.357 -7.783 -5.478 1.00 0.00 O ATOM 625 CB ASP A 42 -2.188 -4.532 -5.582 1.00 0.00 C ATOM 626 CG ASP A 42 -0.752 -4.221 -5.957 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.440 -4.225 -7.166 1.00 0.00 O ATOM 628 OD2 ASP A 42 0.060 -3.972 -5.041 1.00 0.00 O ATOM 0 H ASP A 42 -4.558 -4.992 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.176 -6.052 -7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.838 -3.740 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.284 -4.539 -4.496 1.00 0.00 H new ATOM 633 N LEU A 43 -2.947 -7.076 -4.052 1.00 0.00 N ATOM 634 CA LEU A 43 -2.669 -8.106 -3.057 1.00 0.00 C ATOM 635 C LEU A 43 -3.335 -9.427 -3.433 1.00 0.00 C ATOM 636 O LEU A 43 -2.928 -10.491 -2.966 1.00 0.00 O ATOM 637 CB LEU A 43 -3.151 -7.654 -1.677 1.00 0.00 C ATOM 638 CG LEU A 43 -2.373 -6.484 -1.072 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.243 -5.718 -0.087 1.00 0.00 C ATOM 640 CD2 LEU A 43 -1.106 -6.982 -0.392 1.00 0.00 C ATOM 0 H LEU A 43 -3.699 -6.436 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.591 -8.262 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.202 -7.373 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.094 -8.501 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.088 -5.806 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.673 -4.889 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.121 -5.330 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.559 -6.385 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.565 -6.137 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.370 -7.680 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.475 -7.486 -1.124 1.00 0.00 H new ATOM 652 N GLU A 44 -4.361 -9.355 -4.278 1.00 0.00 N ATOM 653 CA GLU A 44 -5.080 -10.547 -4.712 1.00 0.00 C ATOM 654 C GLU A 44 -5.748 -11.240 -3.528 1.00 0.00 C ATOM 655 O GLU A 44 -5.701 -12.464 -3.402 1.00 0.00 O ATOM 656 CB GLU A 44 -4.128 -11.515 -5.419 1.00 0.00 C ATOM 657 CG GLU A 44 -4.014 -11.271 -6.915 1.00 0.00 C ATOM 658 CD GLU A 44 -3.419 -12.454 -7.654 1.00 0.00 C ATOM 659 OE1 GLU A 44 -2.175 -12.547 -7.723 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.197 -13.286 -8.165 1.00 0.00 O ATOM 0 H GLU A 44 -4.712 -8.483 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.856 -10.239 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.139 -11.432 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.470 -12.536 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.002 -11.053 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.397 -10.390 -7.090 1.00 0.00 H new ATOM 667 N ALA A 45 -6.371 -10.448 -2.662 1.00 0.00 N ATOM 668 CA ALA A 45 -7.049 -10.982 -1.487 1.00 0.00 C ATOM 669 C ALA A 45 -8.429 -11.519 -1.848 1.00 0.00 C ATOM 670 O ALA A 45 -8.964 -11.218 -2.915 1.00 0.00 O ATOM 671 CB ALA A 45 -7.161 -9.912 -0.412 1.00 0.00 C ATOM 0 H ALA A 45 -6.420 -9.433 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.456 -11.810 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.669 -10.324 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.164 -9.578 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.730 -9.067 -0.798 1.00 0.00 H new ATOM 677 N GLU A 46 -9.002 -12.316 -0.951 1.00 0.00 N ATOM 678 CA GLU A 46 -10.321 -12.895 -1.174 1.00 0.00 C ATOM 679 C GLU A 46 -11.409 -11.834 -1.046 1.00 0.00 C ATOM 680 O GLU A 46 -12.143 -11.565 -1.997 1.00 0.00 O ATOM 681 CB GLU A 46 -10.579 -14.029 -0.180 1.00 0.00 C ATOM 682 CG GLU A 46 -11.758 -14.912 -0.555 1.00 0.00 C ATOM 683 CD GLU A 46 -11.499 -16.379 -0.277 1.00 0.00 C ATOM 684 OE1 GLU A 46 -10.670 -16.983 -0.991 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.125 -16.926 0.655 1.00 0.00 O ATOM 0 H GLU A 46 -8.573 -12.575 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.347 -13.297 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.683 -14.646 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.755 -13.602 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.639 -14.591 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.983 -14.781 -1.613 1.00 0.00 H new ATOM 692 N HIS A 47 -11.508 -11.236 0.136 1.00 0.00 N ATOM 693 CA HIS A 47 -12.505 -10.203 0.390 1.00 0.00 C ATOM 694 C HIS A 47 -11.865 -8.972 1.024 1.00 0.00 C ATOM 695 O HIS A 47 -10.895 -9.084 1.775 1.00 0.00 O ATOM 696 CB HIS A 47 -13.609 -10.744 1.300 1.00 0.00 C ATOM 697 CG HIS A 47 -14.839 -9.891 1.323 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.192 -9.051 0.286 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.803 -9.749 2.263 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.318 -8.430 0.589 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.709 -8.837 1.783 1.00 0.00 N ATOM 0 H HIS A 47 -10.909 -11.449 0.934 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.941 -9.911 -0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.879 -11.748 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.220 -10.834 2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.850 -10.259 3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -16.831 -7.712 -0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.549 -8.524 2.270 1.00 0.00 H new ATOM 710 N VAL A 48 -12.412 -7.801 0.719 1.00 0.00 N ATOM 711 CA VAL A 48 -11.892 -6.551 1.259 1.00 0.00 C ATOM 712 C VAL A 48 -13.014 -5.547 1.504 1.00 0.00 C ATOM 713 O VAL A 48 -14.098 -5.662 0.932 1.00 0.00 O ATOM 714 CB VAL A 48 -10.852 -5.920 0.317 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.618 -6.804 0.210 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.457 -5.670 -1.057 1.00 0.00 C ATOM 0 H VAL A 48 -13.216 -7.691 0.100 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.412 -6.794 2.207 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.547 -4.961 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.895 -6.340 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.171 -6.926 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.903 -7.780 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.706 -5.223 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.793 -6.615 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.306 -4.992 -0.963 1.00 0.00 H new ATOM 726 N GLU A 49 -12.746 -4.564 2.356 1.00 0.00 N ATOM 727 CA GLU A 49 -13.731 -3.538 2.676 1.00 0.00 C ATOM 728 C GLU A 49 -13.049 -2.218 3.021 1.00 0.00 C ATOM 729 O GLU A 49 -12.141 -2.175 3.852 1.00 0.00 O ATOM 730 CB GLU A 49 -14.609 -3.992 3.844 1.00 0.00 C ATOM 731 CG GLU A 49 -15.691 -2.991 4.217 1.00 0.00 C ATOM 732 CD GLU A 49 -16.542 -3.459 5.380 1.00 0.00 C ATOM 733 OE1 GLU A 49 -17.425 -4.314 5.163 1.00 0.00 O ATOM 734 OE2 GLU A 49 -16.324 -2.971 6.509 1.00 0.00 O ATOM 0 H GLU A 49 -11.854 -4.456 2.838 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.357 -3.384 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.078 -4.942 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.977 -4.173 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.227 -2.038 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.330 -2.813 3.352 1.00 0.00 H new ATOM 741 N VAL A 50 -13.491 -1.143 2.376 1.00 0.00 N ATOM 742 CA VAL A 50 -12.922 0.178 2.615 1.00 0.00 C ATOM 743 C VAL A 50 -13.902 1.070 3.371 1.00 0.00 C ATOM 744 O VAL A 50 -15.110 0.832 3.362 1.00 0.00 O ATOM 745 CB VAL A 50 -12.526 0.866 1.293 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.745 1.070 0.406 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.828 2.190 1.566 1.00 0.00 C ATOM 0 H VAL A 50 -14.241 -1.161 1.685 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.028 0.034 3.221 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.828 0.216 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.443 1.557 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.195 0.104 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.471 1.696 0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.557 2.660 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.499 2.848 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.928 2.012 2.154 1.00 0.00 H new ATOM 757 N GLU A 51 -13.374 2.099 4.024 1.00 0.00 N ATOM 758 CA GLU A 51 -14.200 3.029 4.786 1.00 0.00 C ATOM 759 C GLU A 51 -13.612 4.434 4.750 1.00 0.00 C ATOM 760 O GLU A 51 -12.447 4.622 4.398 1.00 0.00 O ATOM 761 CB GLU A 51 -14.335 2.556 6.235 1.00 0.00 C ATOM 762 CG GLU A 51 -15.435 3.264 7.008 1.00 0.00 C ATOM 763 CD GLU A 51 -16.775 3.210 6.298 1.00 0.00 C ATOM 764 OE1 GLU A 51 -17.189 2.103 5.895 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.408 4.275 6.146 1.00 0.00 O ATOM 0 H GLU A 51 -12.376 2.311 4.041 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.188 3.057 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.531 1.484 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.386 2.710 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.532 2.809 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.152 4.305 7.164 1.00 0.00 H new ATOM 772 N ASP A 52 -14.427 5.417 5.111 1.00 0.00 N ATOM 773 CA ASP A 52 -13.992 6.808 5.117 1.00 0.00 C ATOM 774 C ASP A 52 -14.663 7.580 6.250 1.00 0.00 C ATOM 775 O ASP A 52 -15.889 7.668 6.314 1.00 0.00 O ATOM 776 CB ASP A 52 -14.310 7.460 3.770 1.00 0.00 C ATOM 777 CG ASP A 52 -13.977 8.940 3.741 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.082 9.361 4.504 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.612 9.677 2.957 1.00 0.00 O ATOM 0 H ASP A 52 -15.394 5.277 5.404 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.914 6.834 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.752 6.951 2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.369 7.326 3.547 1.00 0.00 H new ATOM 904 N SER A 61 -7.608 10.477 5.134 1.00 0.00 N ATOM 905 CA SER A 61 -7.555 9.295 5.989 1.00 0.00 C ATOM 906 C SER A 61 -8.565 8.247 5.533 1.00 0.00 C ATOM 907 O SER A 61 -9.744 8.546 5.345 1.00 0.00 O ATOM 908 CB SER A 61 -7.822 9.677 7.446 1.00 0.00 C ATOM 909 OG SER A 61 -6.928 10.688 7.880 1.00 0.00 O ATOM 0 HA SER A 61 -6.555 8.868 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.849 10.026 7.551 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.717 8.797 8.081 1.00 0.00 H new ATOM 0 HG SER A 61 -7.120 10.916 8.814 1.00 0.00 H new ATOM 915 N PHE A 62 -8.095 7.016 5.358 1.00 0.00 N ATOM 916 CA PHE A 62 -8.955 5.920 4.927 1.00 0.00 C ATOM 917 C PHE A 62 -8.461 4.588 5.479 1.00 0.00 C ATOM 918 O PHE A 62 -7.268 4.409 5.722 1.00 0.00 O ATOM 919 CB PHE A 62 -9.012 5.862 3.399 1.00 0.00 C ATOM 920 CG PHE A 62 -9.579 7.103 2.770 1.00 0.00 C ATOM 921 CD1 PHE A 62 -8.772 8.203 2.528 1.00 0.00 C ATOM 922 CD2 PHE A 62 -10.919 7.169 2.423 1.00 0.00 C ATOM 923 CE1 PHE A 62 -9.291 9.346 1.950 1.00 0.00 C ATOM 924 CE2 PHE A 62 -11.444 8.309 1.845 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.629 9.400 1.608 1.00 0.00 C ATOM 0 H PHE A 62 -7.121 6.752 5.508 1.00 0.00 H new ATOM 0 HA PHE A 62 -9.956 6.103 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.006 5.696 3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.615 5.005 3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.726 8.167 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.560 6.320 2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.651 10.197 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -12.490 8.348 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.037 10.292 1.157 1.00 0.00 H new ATOM 935 N ARG A 63 -9.385 3.654 5.674 1.00 0.00 N ATOM 936 CA ARG A 63 -9.045 2.336 6.196 1.00 0.00 C ATOM 937 C ARG A 63 -9.569 1.237 5.276 1.00 0.00 C ATOM 938 O ARG A 63 -10.596 1.402 4.620 1.00 0.00 O ATOM 939 CB ARG A 63 -9.618 2.156 7.603 1.00 0.00 C ATOM 940 CG ARG A 63 -11.137 2.184 7.650 1.00 0.00 C ATOM 941 CD ARG A 63 -11.660 1.802 9.025 1.00 0.00 C ATOM 942 NE ARG A 63 -11.490 0.378 9.300 1.00 0.00 N ATOM 943 CZ ARG A 63 -12.292 -0.571 8.821 1.00 0.00 C ATOM 944 NH1 ARG A 63 -13.320 -0.250 8.044 1.00 0.00 N ATOM 945 NH2 ARG A 63 -12.067 -1.842 9.119 1.00 0.00 N ATOM 0 H ARG A 63 -10.377 3.786 5.478 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.959 2.260 6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.268 1.208 8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.228 2.943 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.492 3.181 7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.538 1.498 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.138 2.383 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.716 2.061 9.096 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.711 0.093 9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.498 0.727 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.931 -0.981 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.279 -2.094 9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.682 -2.568 8.752 1.00 0.00 H new ATOM 959 N VAL A 64 -8.856 0.116 5.233 1.00 0.00 N ATOM 960 CA VAL A 64 -9.251 -1.007 4.391 1.00 0.00 C ATOM 961 C VAL A 64 -8.990 -2.338 5.087 1.00 0.00 C ATOM 962 O VAL A 64 -8.120 -2.440 5.951 1.00 0.00 O ATOM 963 CB VAL A 64 -8.503 -0.990 3.045 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.897 0.230 2.228 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.999 -1.028 3.270 1.00 0.00 C ATOM 0 H VAL A 64 -8.003 -0.039 5.771 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.320 -0.901 4.207 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.786 -1.880 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.358 0.223 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.970 0.208 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.647 1.135 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.487 -1.015 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.696 -0.159 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.735 -1.937 3.810 1.00 0.00 H new ATOM 975 N LEU A 65 -9.752 -3.358 4.703 1.00 0.00 N ATOM 976 CA LEU A 65 -9.605 -4.687 5.285 1.00 0.00 C ATOM 977 C LEU A 65 -9.167 -5.695 4.228 1.00 0.00 C ATOM 978 O LEU A 65 -9.674 -5.694 3.107 1.00 0.00 O ATOM 979 CB LEU A 65 -10.923 -5.135 5.920 1.00 0.00 C ATOM 980 CG LEU A 65 -10.781 -6.047 7.138 1.00 0.00 C ATOM 981 CD1 LEU A 65 -9.979 -7.291 6.784 1.00 0.00 C ATOM 982 CD2 LEU A 65 -10.128 -5.299 8.290 1.00 0.00 C ATOM 0 H LEU A 65 -10.478 -3.289 3.990 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.836 -4.639 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.486 -4.249 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.514 -5.653 5.165 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.777 -6.360 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.888 -7.928 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.488 -7.838 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.985 -6.999 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.035 -5.964 9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.139 -4.956 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.742 -4.440 8.561 1.00 0.00 H new ATOM 994 N VAL A 66 -8.221 -6.555 4.592 1.00 0.00 N ATOM 995 CA VAL A 66 -7.717 -7.568 3.673 1.00 0.00 C ATOM 996 C VAL A 66 -7.648 -8.935 4.344 1.00 0.00 C ATOM 997 O VAL A 66 -7.035 -9.091 5.400 1.00 0.00 O ATOM 998 CB VAL A 66 -6.318 -7.199 3.143 1.00 0.00 C ATOM 999 CG1 VAL A 66 -5.904 -8.144 2.025 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.292 -5.754 2.666 1.00 0.00 C ATOM 0 H VAL A 66 -7.789 -6.570 5.516 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.416 -7.611 2.837 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.602 -7.302 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.914 -7.868 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.880 -9.166 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.621 -8.076 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.296 -5.511 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.020 -5.622 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.542 -5.092 3.496 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.280 -9.925 3.722 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.291 -11.281 4.259 1.00 0.00 C ATOM 1012 C VAL A 67 -7.978 -12.304 3.171 1.00 0.00 C ATOM 1013 O VAL A 67 -8.697 -12.405 2.176 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.651 -11.624 4.894 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.582 -12.962 5.615 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.088 -10.521 5.845 1.00 0.00 C ATOM 0 H VAL A 67 -8.791 -9.814 2.846 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.520 -11.323 5.028 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.393 -11.704 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.552 -13.187 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.316 -13.745 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.828 -12.914 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.051 -10.780 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.347 -10.408 6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.180 -9.583 5.297 1.00 0.00 H new ATOM 1026 N SER A 68 -6.904 -13.059 3.366 1.00 0.00 N ATOM 1027 CA SER A 68 -6.498 -14.075 2.401 1.00 0.00 C ATOM 1028 C SER A 68 -5.312 -14.880 2.922 1.00 0.00 C ATOM 1029 O SER A 68 -4.650 -14.482 3.880 1.00 0.00 O ATOM 1030 CB SER A 68 -6.139 -13.423 1.065 1.00 0.00 C ATOM 1031 OG SER A 68 -6.502 -14.254 -0.024 1.00 0.00 O ATOM 0 H SER A 68 -6.298 -12.988 4.183 1.00 0.00 H new ATOM 0 HA SER A 68 -7.337 -14.755 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.647 -12.462 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.068 -13.222 1.031 1.00 0.00 H new ATOM 0 HG SER A 68 -5.998 -13.988 -0.821 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.050 -16.016 2.284 1.00 0.00 N ATOM 1038 CA ALA A 69 -3.944 -16.879 2.681 1.00 0.00 C ATOM 1039 C ALA A 69 -2.614 -16.369 2.132 1.00 0.00 C ATOM 1040 O ALA A 69 -1.548 -16.734 2.627 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.195 -18.305 2.213 1.00 0.00 C ATOM 0 H ALA A 69 -5.589 -16.360 1.489 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.883 -16.866 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.362 -18.939 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.116 -18.678 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.287 -18.321 1.127 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.680 -15.521 1.107 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.479 -14.964 0.495 1.00 0.00 C ATOM 1049 C LYS A 70 -0.583 -14.307 1.542 1.00 0.00 C ATOM 1050 O LYS A 70 0.642 -14.328 1.427 1.00 0.00 O ATOM 1051 CB LYS A 70 -1.857 -13.945 -0.581 1.00 0.00 C ATOM 1052 CG LYS A 70 -0.742 -13.671 -1.580 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.329 -12.207 -1.573 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.069 -11.695 -2.979 1.00 0.00 C ATOM 1055 NZ LYS A 70 1.315 -12.001 -3.435 1.00 0.00 N ATOM 0 H LYS A 70 -3.553 -15.206 0.684 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.925 -15.782 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.734 -14.305 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.140 -13.009 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.121 -14.294 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.072 -13.951 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.112 -11.609 -1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.569 -12.084 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.785 -12.144 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.231 -10.618 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.452 -11.635 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.999 -11.552 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.462 -13.031 -3.432 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.205 -13.724 2.562 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.465 -13.063 3.630 1.00 0.00 C ATOM 1071 C PHE A 71 0.175 -14.085 4.565 1.00 0.00 C ATOM 1072 O PHE A 71 1.233 -13.835 5.144 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.389 -12.137 4.423 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.445 -10.737 3.881 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.283 -10.070 3.528 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -2.660 -10.089 3.726 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -0.331 -8.782 3.030 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -2.714 -8.800 3.229 1.00 0.00 C ATOM 1079 CZ PHE A 71 -1.548 -8.146 2.880 1.00 0.00 C ATOM 0 H PHE A 71 -2.219 -13.696 2.671 1.00 0.00 H new ATOM 0 HA PHE A 71 0.328 -12.470 3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.395 -12.557 4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.054 -12.103 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.671 -10.562 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.574 -10.596 3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.582 -8.273 2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.667 -8.305 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.588 -7.139 2.491 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.475 -15.236 4.710 1.00 0.00 N ATOM 1090 CA GLU A 72 0.030 -16.294 5.574 1.00 0.00 C ATOM 1091 C GLU A 72 1.399 -16.776 5.101 1.00 0.00 C ATOM 1092 O GLU A 72 2.231 -17.198 5.904 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.956 -17.463 5.606 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.768 -17.538 6.888 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.011 -18.201 8.021 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.199 -17.927 8.167 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.626 -18.997 8.762 1.00 0.00 O ATOM 0 H GLU A 72 -1.352 -15.458 4.240 1.00 0.00 H new ATOM 0 HA GLU A 72 0.138 -15.891 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.637 -17.377 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.406 -18.395 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.057 -16.531 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.688 -18.091 6.699 1.00 0.00 H new ATOM 1104 N GLY A 73 1.624 -16.711 3.793 1.00 0.00 N ATOM 1105 CA GLY A 73 2.892 -17.144 3.236 1.00 0.00 C ATOM 1106 C GLY A 73 4.037 -16.225 3.618 1.00 0.00 C ATOM 1107 O GLY A 73 5.168 -16.675 3.804 1.00 0.00 O ATOM 0 H GLY A 73 0.951 -16.366 3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.111 -18.155 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.812 -17.188 2.150 1.00 0.00 H new ATOM 1111 N LYS A 74 3.744 -14.935 3.734 1.00 0.00 N ATOM 1112 CA LYS A 74 4.757 -13.949 4.095 1.00 0.00 C ATOM 1113 C LYS A 74 4.645 -13.568 5.569 1.00 0.00 C ATOM 1114 O LYS A 74 3.566 -13.646 6.158 1.00 0.00 O ATOM 1115 CB LYS A 74 4.619 -12.701 3.222 1.00 0.00 C ATOM 1116 CG LYS A 74 5.121 -12.894 1.800 1.00 0.00 C ATOM 1117 CD LYS A 74 4.994 -11.616 0.987 1.00 0.00 C ATOM 1118 CE LYS A 74 5.503 -11.807 -0.433 1.00 0.00 C ATOM 1119 NZ LYS A 74 6.960 -12.109 -0.466 1.00 0.00 N ATOM 0 H LYS A 74 2.813 -14.547 3.583 1.00 0.00 H new ATOM 0 HA LYS A 74 5.737 -14.395 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.571 -12.404 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.169 -11.882 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.164 -13.211 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.555 -13.691 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.951 -11.302 0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.556 -10.818 1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.953 -12.619 -0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.306 -10.906 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.312 -12.015 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.467 -11.443 0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.121 -13.081 -0.132 1.00 0.00 H new ATOM 1133 N PRO A 75 5.763 -13.148 6.186 1.00 0.00 N ATOM 1134 CA PRO A 75 5.785 -12.754 7.599 1.00 0.00 C ATOM 1135 C PRO A 75 4.718 -11.714 7.926 1.00 0.00 C ATOM 1136 O PRO A 75 4.077 -11.166 7.029 1.00 0.00 O ATOM 1137 CB PRO A 75 7.184 -12.160 7.782 1.00 0.00 C ATOM 1138 CG PRO A 75 8.011 -12.805 6.724 1.00 0.00 C ATOM 1139 CD PRO A 75 7.091 -13.026 5.556 1.00 0.00 C ATOM 0 HA PRO A 75 5.576 -13.595 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.172 -11.076 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.577 -12.372 8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.851 -12.170 6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.428 -13.748 7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.127 -12.194 4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.356 -13.925 5.000 1.00 0.00 H new ATOM 1147 N LEU A 76 4.533 -11.448 9.214 1.00 0.00 N ATOM 1148 CA LEU A 76 3.544 -10.474 9.659 1.00 0.00 C ATOM 1149 C LEU A 76 3.924 -9.068 9.207 1.00 0.00 C ATOM 1150 O LEU A 76 3.105 -8.345 8.638 1.00 0.00 O ATOM 1151 CB LEU A 76 3.408 -10.514 11.182 1.00 0.00 C ATOM 1152 CG LEU A 76 2.032 -10.118 11.720 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.882 -10.548 13.171 1.00 0.00 C ATOM 1154 CD2 LEU A 76 1.818 -8.619 11.582 1.00 0.00 C ATOM 0 H LEU A 76 5.055 -11.893 9.968 1.00 0.00 H new ATOM 0 HA LEU A 76 2.586 -10.734 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.639 -11.522 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.156 -9.850 11.616 1.00 0.00 H new ATOM 0 HG LEU A 76 1.271 -10.630 11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.897 -10.258 13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.991 -11.630 13.243 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.650 -10.065 13.775 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.834 -8.355 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.585 -8.089 12.146 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.881 -8.338 10.531 1.00 0.00 H new ATOM 1166 N LEU A 77 5.170 -8.685 9.466 1.00 0.00 N ATOM 1167 CA LEU A 77 5.658 -7.364 9.085 1.00 0.00 C ATOM 1168 C LEU A 77 5.676 -7.207 7.569 1.00 0.00 C ATOM 1169 O LEU A 77 5.487 -6.108 7.046 1.00 0.00 O ATOM 1170 CB LEU A 77 7.061 -7.134 9.651 1.00 0.00 C ATOM 1171 CG LEU A 77 8.099 -8.186 9.258 1.00 0.00 C ATOM 1172 CD1 LEU A 77 8.779 -7.803 7.952 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.126 -8.360 10.365 1.00 0.00 C ATOM 0 H LEU A 77 5.860 -9.270 9.938 1.00 0.00 H new ATOM 0 HA LEU A 77 4.979 -6.619 9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.414 -6.157 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.996 -7.099 10.738 1.00 0.00 H new ATOM 0 HG LEU A 77 7.587 -9.137 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.514 -8.563 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.033 -7.730 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.278 -6.841 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.857 -9.112 10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.633 -7.412 10.543 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.625 -8.681 11.279 1.00 0.00 H new ATOM 1185 N GLN A 78 5.906 -8.312 6.868 1.00 0.00 N ATOM 1186 CA GLN A 78 5.949 -8.297 5.410 1.00 0.00 C ATOM 1187 C GLN A 78 4.583 -7.950 4.827 1.00 0.00 C ATOM 1188 O GLN A 78 4.488 -7.362 3.750 1.00 0.00 O ATOM 1189 CB GLN A 78 6.413 -9.655 4.879 1.00 0.00 C ATOM 1190 CG GLN A 78 7.025 -9.588 3.490 1.00 0.00 C ATOM 1191 CD GLN A 78 8.519 -9.334 3.524 1.00 0.00 C ATOM 1192 OE1 GLN A 78 9.004 -8.335 2.994 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.259 -10.243 4.150 1.00 0.00 N ATOM 0 H GLN A 78 6.065 -9.229 7.285 1.00 0.00 H new ATOM 0 HA GLN A 78 6.660 -7.531 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.144 -10.075 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.564 -10.338 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.831 -10.524 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.538 -8.797 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.815 -11.057 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.271 -10.127 4.205 1.00 0.00 H new ATOM 1202 N ARG A 79 3.527 -8.317 5.546 1.00 0.00 N ATOM 1203 CA ARG A 79 2.165 -8.044 5.100 1.00 0.00 C ATOM 1204 C ARG A 79 1.941 -6.547 4.918 1.00 0.00 C ATOM 1205 O ARG A 79 1.534 -6.096 3.847 1.00 0.00 O ATOM 1206 CB ARG A 79 1.155 -8.604 6.104 1.00 0.00 C ATOM 1207 CG ARG A 79 1.479 -10.014 6.570 1.00 0.00 C ATOM 1208 CD ARG A 79 0.242 -10.725 7.095 1.00 0.00 C ATOM 1209 NE ARG A 79 -0.034 -10.387 8.490 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.907 -11.042 9.251 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -1.593 -12.066 8.758 1.00 0.00 N ATOM 1212 NH2 ARG A 79 -1.096 -10.671 10.510 1.00 0.00 N ATOM 0 H ARG A 79 3.588 -8.804 6.440 1.00 0.00 H new ATOM 0 HA ARG A 79 2.020 -8.534 4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.113 -7.944 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.164 -8.599 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.904 -10.583 5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.237 -9.975 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.618 -10.458 6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.377 -11.803 7.003 1.00 0.00 H new ATOM 0 HE ARG A 79 0.472 -9.604 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.452 -12.355 7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.261 -12.564 9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.572 -9.884 10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.765 -11.172 11.094 1.00 0.00 H new ATOM 1226 N HIS A 80 2.210 -5.781 5.969 1.00 0.00 N ATOM 1227 CA HIS A 80 2.038 -4.334 5.926 1.00 0.00 C ATOM 1228 C HIS A 80 2.922 -3.712 4.851 1.00 0.00 C ATOM 1229 O HIS A 80 2.534 -2.744 4.197 1.00 0.00 O ATOM 1230 CB HIS A 80 2.363 -3.719 7.289 1.00 0.00 C ATOM 1231 CG HIS A 80 1.217 -3.761 8.253 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.053 -2.844 9.269 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.173 -4.618 8.351 1.00 0.00 C ATOM 1234 CE1 HIS A 80 -0.039 -3.135 9.951 1.00 0.00 C ATOM 1235 NE2 HIS A 80 -0.593 -4.207 9.414 1.00 0.00 N ATOM 0 H HIS A 80 2.548 -6.139 6.862 1.00 0.00 H new ATOM 0 HA HIS A 80 0.997 -4.125 5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.212 -4.247 7.723 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.670 -2.683 7.147 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.021 -5.467 7.712 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.416 -2.589 10.803 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.450 -4.656 9.736 1.00 0.00 H new ATOM 1244 N ARG A 81 4.114 -4.274 4.673 1.00 0.00 N ATOM 1245 CA ARG A 81 5.054 -3.774 3.677 1.00 0.00 C ATOM 1246 C ARG A 81 4.463 -3.869 2.274 1.00 0.00 C ATOM 1247 O ARG A 81 4.634 -2.966 1.455 1.00 0.00 O ATOM 1248 CB ARG A 81 6.366 -4.558 3.744 1.00 0.00 C ATOM 1249 CG ARG A 81 7.596 -3.708 3.468 1.00 0.00 C ATOM 1250 CD ARG A 81 8.631 -4.472 2.657 1.00 0.00 C ATOM 1251 NE ARG A 81 9.983 -3.971 2.885 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.719 -4.279 3.950 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.237 -5.086 4.887 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.940 -3.778 4.080 1.00 0.00 N ATOM 0 H ARG A 81 4.451 -5.076 5.206 1.00 0.00 H new ATOM 0 HA ARG A 81 5.254 -2.725 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.460 -5.009 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.329 -5.374 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.303 -2.807 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.037 -3.387 4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.587 -5.529 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.390 -4.395 1.597 1.00 0.00 H new ATOM 0 HE ARG A 81 10.388 -3.348 2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.298 -5.473 4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.805 -5.319 5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.315 -3.156 3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.504 -4.014 4.896 1.00 0.00 H new ATOM 1268 N LEU A 82 3.766 -4.968 2.004 1.00 0.00 N ATOM 1269 CA LEU A 82 3.150 -5.181 0.700 1.00 0.00 C ATOM 1270 C LEU A 82 2.080 -4.129 0.425 1.00 0.00 C ATOM 1271 O LEU A 82 2.030 -3.550 -0.660 1.00 0.00 O ATOM 1272 CB LEU A 82 2.536 -6.582 0.627 1.00 0.00 C ATOM 1273 CG LEU A 82 3.474 -7.672 0.109 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.870 -9.048 0.336 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.775 -7.458 -1.368 1.00 0.00 C ATOM 0 H LEU A 82 3.614 -5.725 2.671 1.00 0.00 H new ATOM 0 HA LEU A 82 3.926 -5.091 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.191 -6.863 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.657 -6.544 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 82 4.410 -7.612 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.552 -9.811 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.705 -9.201 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.919 -9.120 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.444 -8.243 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.846 -7.491 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.251 -6.487 -1.505 1.00 0.00 H new ATOM 1287 N VAL A 83 1.228 -3.885 1.416 1.00 0.00 N ATOM 1288 CA VAL A 83 0.159 -2.902 1.280 1.00 0.00 C ATOM 1289 C VAL A 83 0.725 -1.499 1.087 1.00 0.00 C ATOM 1290 O VAL A 83 0.183 -0.701 0.320 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.767 -2.905 2.510 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.982 -2.024 2.266 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.189 -4.324 2.858 1.00 0.00 C ATOM 0 H VAL A 83 1.257 -4.354 2.321 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.419 -3.183 0.400 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.216 -2.497 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.625 -2.039 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.657 -1.002 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.536 -2.399 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.843 -4.306 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.722 -4.763 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.305 -4.922 3.080 1.00 0.00 H new ATOM 1303 N ASN A 84 1.815 -1.204 1.786 1.00 0.00 N ATOM 1304 CA ASN A 84 2.453 0.103 1.692 1.00 0.00 C ATOM 1305 C ASN A 84 3.053 0.317 0.306 1.00 0.00 C ATOM 1306 O ASN A 84 3.046 1.432 -0.219 1.00 0.00 O ATOM 1307 CB ASN A 84 3.543 0.240 2.757 1.00 0.00 C ATOM 1308 CG ASN A 84 2.971 0.416 4.150 1.00 0.00 C ATOM 1309 OD1 ASN A 84 2.017 1.168 4.351 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.553 -0.277 5.121 1.00 0.00 N ATOM 0 H ASN A 84 2.275 -1.853 2.424 1.00 0.00 H new ATOM 0 HA ASN A 84 1.691 0.864 1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.179 -0.645 2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.177 1.094 2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.212 -0.198 6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.341 -0.889 4.909 1.00 0.00 H new ATOM 1317 N GLU A 85 3.571 -0.755 -0.283 1.00 0.00 N ATOM 1318 CA GLU A 85 4.175 -0.684 -1.609 1.00 0.00 C ATOM 1319 C GLU A 85 3.136 -0.307 -2.661 1.00 0.00 C ATOM 1320 O GLU A 85 3.427 0.437 -3.596 1.00 0.00 O ATOM 1321 CB GLU A 85 4.822 -2.022 -1.970 1.00 0.00 C ATOM 1322 CG GLU A 85 6.117 -2.292 -1.221 1.00 0.00 C ATOM 1323 CD GLU A 85 7.175 -2.930 -2.100 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.273 -2.549 -3.285 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.906 -3.813 -1.602 1.00 0.00 O ATOM 0 H GLU A 85 3.585 -1.684 0.137 1.00 0.00 H new ATOM 0 HA GLU A 85 4.943 0.089 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.116 -2.826 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.020 -2.043 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.501 -1.355 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.913 -2.945 -0.372 1.00 0.00 H new ATOM 1332 N CYS A 86 1.923 -0.827 -2.499 1.00 0.00 N ATOM 1333 CA CYS A 86 0.841 -0.545 -3.435 1.00 0.00 C ATOM 1334 C CYS A 86 0.544 0.950 -3.491 1.00 0.00 C ATOM 1335 O CYS A 86 0.650 1.575 -4.546 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.420 -1.313 -3.034 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.585 -1.579 -4.392 1.00 0.00 S ATOM 0 H CYS A 86 1.665 -1.445 -1.729 1.00 0.00 H new ATOM 0 HA CYS A 86 1.157 -0.870 -4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.129 -2.280 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.926 -0.769 -2.237 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.647 -0.508 -5.126 1.00 0.00 H new ATOM 1343 N LEU A 87 0.171 1.517 -2.348 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.140 2.940 -2.267 1.00 0.00 C ATOM 1345 C LEU A 87 1.042 3.723 -1.704 1.00 0.00 C ATOM 1346 O LEU A 87 0.883 4.548 -0.804 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.379 3.163 -1.397 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.498 2.138 -1.588 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.510 2.236 -0.457 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.178 2.338 -2.933 1.00 0.00 C ATOM 0 H LEU A 87 0.077 1.014 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.344 3.302 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.075 3.156 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.777 4.156 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.059 1.140 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.299 1.499 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.013 2.044 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.945 3.235 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.972 1.600 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.604 3.340 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.447 2.217 -3.732 1.00 0.00 H new ATOM 1362 N ALA A 88 2.228 3.459 -2.242 1.00 0.00 N ATOM 1363 CA ALA A 88 3.438 4.138 -1.795 1.00 0.00 C ATOM 1364 C ALA A 88 3.341 5.642 -2.020 1.00 0.00 C ATOM 1365 O ALA A 88 3.548 6.432 -1.098 1.00 0.00 O ATOM 1366 CB ALA A 88 4.655 3.572 -2.512 1.00 0.00 C ATOM 0 H ALA A 88 2.377 2.780 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 88 3.547 3.965 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.552 4.088 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.743 2.508 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.543 3.715 -3.587 1.00 0.00 H new ATOM 1372 N GLU A 89 3.029 6.033 -3.250 1.00 0.00 N ATOM 1373 CA GLU A 89 2.907 7.446 -3.596 1.00 0.00 C ATOM 1374 C GLU A 89 1.608 8.034 -3.053 1.00 0.00 C ATOM 1375 O GLU A 89 1.549 9.211 -2.698 1.00 0.00 O ATOM 1376 CB GLU A 89 2.967 7.627 -5.114 1.00 0.00 C ATOM 1377 CG GLU A 89 4.312 7.262 -5.719 1.00 0.00 C ATOM 1378 CD GLU A 89 4.440 7.702 -7.164 1.00 0.00 C ATOM 1379 OE1 GLU A 89 4.440 8.925 -7.415 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.541 6.822 -8.045 1.00 0.00 O ATOM 0 H GLU A 89 2.856 5.393 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 89 3.741 7.978 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.193 7.014 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.739 8.665 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.107 7.721 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.453 6.183 -5.658 1.00 0.00 H new ATOM 1387 N GLU A 90 0.569 7.207 -2.996 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.732 7.646 -2.500 1.00 0.00 C ATOM 1389 C GLU A 90 -0.732 7.779 -0.979 1.00 0.00 C ATOM 1390 O GLU A 90 -1.464 8.597 -0.420 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.822 6.665 -2.939 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.666 7.172 -4.098 1.00 0.00 C ATOM 1393 CD GLU A 90 -2.099 6.779 -5.448 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -1.895 5.569 -5.677 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.858 7.683 -6.277 1.00 0.00 O ATOM 0 H GLU A 90 0.602 6.230 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.938 8.628 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.357 5.722 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.473 6.455 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.678 6.779 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.740 8.258 -4.041 1.00 0.00 H new ATOM 1402 N LEU A 91 0.085 6.966 -0.314 1.00 0.00 N ATOM 1403 CA LEU A 91 0.168 6.989 1.145 1.00 0.00 C ATOM 1404 C LEU A 91 0.398 8.407 1.672 1.00 0.00 C ATOM 1405 O LEU A 91 -0.395 8.916 2.463 1.00 0.00 O ATOM 1406 CB LEU A 91 1.285 6.060 1.628 1.00 0.00 C ATOM 1407 CG LEU A 91 0.815 4.703 2.156 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.990 3.907 2.702 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.250 4.887 3.228 1.00 0.00 C ATOM 0 H LEU A 91 0.698 6.284 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.786 6.636 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.979 5.892 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.843 6.566 2.416 1.00 0.00 H new ATOM 0 HG LEU A 91 0.377 4.145 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.637 2.945 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.719 3.744 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.457 4.461 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.572 3.911 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.162 5.465 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.104 5.417 2.806 1.00 0.00 H new ATOM 1421 N PRO A 92 1.489 9.066 1.243 1.00 0.00 N ATOM 1422 CA PRO A 92 1.813 10.427 1.679 1.00 0.00 C ATOM 1423 C PRO A 92 0.599 11.353 1.658 1.00 0.00 C ATOM 1424 O PRO A 92 0.492 12.270 2.470 1.00 0.00 O ATOM 1425 CB PRO A 92 2.848 10.881 0.653 1.00 0.00 C ATOM 1426 CG PRO A 92 3.530 9.628 0.228 1.00 0.00 C ATOM 1427 CD PRO A 92 2.494 8.535 0.300 1.00 0.00 C ATOM 0 HA PRO A 92 2.167 10.453 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.375 11.381 -0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.554 11.589 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.924 9.724 -0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.375 9.406 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.057 8.332 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.924 7.599 0.658 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.313 11.105 0.722 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.519 11.915 0.597 1.00 0.00 C ATOM 1437 C HIS A 93 -2.518 11.580 1.700 1.00 0.00 C ATOM 1438 O HIS A 93 -3.272 12.441 2.151 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.164 11.699 -0.773 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.374 12.280 -1.905 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.783 13.386 -2.619 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.190 11.903 -2.444 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.887 13.664 -3.550 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.089 12.779 -3.465 1.00 0.00 N ATOM 0 H HIS A 93 -0.239 10.350 0.040 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.234 12.962 0.696 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.291 10.630 -0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.160 12.142 -0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.421 11.069 -2.130 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.944 14.476 -4.259 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.916 12.750 -4.061 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.515 10.323 2.130 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.420 9.872 3.181 1.00 0.00 C ATOM 1455 C ILE A 94 -2.964 10.368 4.549 1.00 0.00 C ATOM 1456 O ILE A 94 -1.884 10.012 5.021 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.517 8.334 3.217 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.765 7.780 1.814 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.620 7.895 4.169 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.098 8.191 1.228 1.00 0.00 C ATOM 0 H ILE A 94 -1.896 9.598 1.767 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.401 10.288 2.952 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.570 7.935 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.967 8.118 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.712 6.692 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.676 6.807 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.401 8.261 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.574 8.303 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.205 7.762 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.903 7.830 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.147 9.278 1.162 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.795 11.189 5.183 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.477 11.730 6.499 1.00 0.00 C ATOM 1474 C HIS A 95 -3.374 10.612 7.530 1.00 0.00 C ATOM 1475 O HIS A 95 -2.547 10.666 8.441 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.540 12.742 6.930 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.158 13.531 8.144 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -2.899 14.059 8.333 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.879 13.883 9.235 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -2.860 14.700 9.488 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -4.049 14.608 10.054 1.00 0.00 N ATOM 0 H HIS A 95 -4.693 11.494 4.807 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.513 12.235 6.436 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.731 13.429 6.106 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.473 12.214 7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.914 13.639 9.425 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.002 15.212 9.899 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.309 15.011 10.954 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.217 9.596 7.376 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.224 8.459 8.289 1.00 0.00 C ATOM 1492 C ALA A 96 -4.726 7.202 7.588 1.00 0.00 C ATOM 1493 O ALA A 96 -5.875 7.140 7.152 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.079 8.765 9.508 1.00 0.00 C ATOM 0 H ALA A 96 -4.905 9.537 6.626 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.200 8.279 8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.075 7.907 10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.675 9.634 10.027 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.101 8.973 9.192 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.856 6.204 7.479 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.212 4.948 6.828 1.00 0.00 C ATOM 1502 C PHE A 97 -4.098 3.777 7.798 1.00 0.00 C ATOM 1503 O PHE A 97 -3.195 3.734 8.633 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.311 4.710 5.614 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.834 3.662 4.674 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -4.778 3.984 3.711 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -3.382 2.354 4.751 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -5.260 3.023 2.844 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -3.861 1.388 3.887 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.801 1.723 2.932 1.00 0.00 C ATOM 0 H PHE A 97 -2.900 6.240 7.833 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.248 5.019 6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.193 5.647 5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.320 4.415 5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.141 4.999 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.647 2.087 5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.995 3.288 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.501 0.372 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.177 0.970 2.255 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.021 2.828 7.679 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.027 1.653 8.543 1.00 0.00 C ATOM 1522 C GLU A 98 -5.380 0.399 7.750 1.00 0.00 C ATOM 1523 O GLU A 98 -6.458 0.309 7.162 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.020 1.843 9.691 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.958 0.742 10.737 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.009 1.071 11.873 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -3.788 1.147 11.624 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -5.488 1.251 13.012 1.00 0.00 O ATOM 0 H GLU A 98 -5.775 2.850 6.992 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.026 1.530 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.827 2.802 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.030 1.889 9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.956 0.572 11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.643 -0.188 10.263 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.466 -0.565 7.736 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.682 -1.812 7.013 1.00 0.00 C ATOM 1537 C GLN A 99 -4.641 -3.007 7.961 1.00 0.00 C ATOM 1538 O GLN A 99 -3.716 -3.146 8.762 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.625 -1.980 5.919 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.205 -2.072 6.454 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.217 -1.274 5.626 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.597 -0.356 4.899 1.00 0.00 O ATOM 1543 NE2 GLN A 99 0.060 -1.621 5.732 1.00 0.00 N ATOM 0 H GLN A 99 -3.569 -0.506 8.217 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.670 -1.769 6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.847 -2.880 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.691 -1.138 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.184 -1.713 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.895 -3.117 6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.331 -2.389 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.771 -1.120 5.199 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.650 -3.867 7.863 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.729 -5.052 8.710 1.00 0.00 C ATOM 1554 C LYS A 100 -5.669 -6.324 7.870 1.00 0.00 C ATOM 1555 O LYS A 100 -6.479 -6.520 6.965 1.00 0.00 O ATOM 1556 CB LYS A 100 -7.019 -5.031 9.532 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.869 -4.342 10.879 1.00 0.00 C ATOM 1558 CD LYS A 100 -6.980 -2.832 10.749 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.680 -2.219 11.950 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.710 -1.701 12.954 1.00 0.00 N ATOM 0 H LYS A 100 -6.424 -3.766 7.206 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.875 -5.043 9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.797 -4.526 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.355 -6.055 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.636 -4.707 11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.904 -4.601 11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.984 -2.400 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.529 -2.583 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.327 -1.407 11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.321 -2.967 12.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.969 -2.049 13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.753 -2.030 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.729 -0.661 12.951 1.00 0.00 H new ATOM 1574 N THR A 101 -4.702 -7.183 8.175 1.00 0.00 N ATOM 1575 CA THR A 101 -4.534 -8.435 7.445 1.00 0.00 C ATOM 1576 C THR A 101 -4.662 -9.635 8.380 1.00 0.00 C ATOM 1577 O THR A 101 -4.059 -9.665 9.452 1.00 0.00 O ATOM 1578 CB THR A 101 -3.175 -8.462 6.744 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.133 -8.669 7.681 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.868 -7.189 5.986 1.00 0.00 C ATOM 0 H THR A 101 -4.023 -7.036 8.922 1.00 0.00 H new ATOM 0 HA THR A 101 -5.323 -8.497 6.696 1.00 0.00 H new ATOM 0 HB THR A 101 -3.233 -9.284 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.282 -8.375 7.294 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.890 -7.274 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.628 -7.028 5.222 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.864 -6.346 6.677 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.449 -10.621 7.962 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.654 -11.826 8.760 1.00 0.00 C ATOM 1590 C LEU A 102 -5.801 -13.051 7.862 1.00 0.00 C ATOM 1591 O LEU A 102 -5.998 -12.926 6.653 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.893 -11.671 9.646 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.605 -11.421 11.127 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.898 -11.397 11.928 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.658 -12.481 11.673 1.00 0.00 C ATOM 0 H LEU A 102 -5.955 -10.610 7.076 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.780 -11.968 9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.493 -10.845 9.264 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.499 -12.572 9.557 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.125 -10.447 11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.672 -11.218 12.979 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.542 -10.601 11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.408 -12.355 11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.464 -12.287 12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.112 -13.466 11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.719 -12.450 11.120 1.00 0.00 H new ATOM 1607 N THR A 103 -5.702 -14.233 8.461 1.00 0.00 N ATOM 1608 CA THR A 103 -5.824 -15.480 7.714 1.00 0.00 C ATOM 1609 C THR A 103 -7.289 -15.813 7.444 1.00 0.00 C ATOM 1610 O THR A 103 -8.165 -15.496 8.251 1.00 0.00 O ATOM 1611 CB THR A 103 -5.161 -16.625 8.482 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.967 -17.027 9.575 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.794 -16.270 9.025 1.00 0.00 C ATOM 0 H THR A 103 -5.538 -14.354 9.460 1.00 0.00 H new ATOM 0 HA THR A 103 -5.318 -15.352 6.757 1.00 0.00 H new ATOM 0 HB THR A 103 -5.047 -17.431 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.612 -17.857 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.381 -17.126 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.133 -16.003 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.882 -15.425 9.708 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.578 -16.460 6.301 1.00 0.00 N ATOM 1622 CA PRO A 104 -8.947 -16.834 5.930 1.00 0.00 C ATOM 1623 C PRO A 104 -9.639 -17.648 7.019 1.00 0.00 C ATOM 1624 O PRO A 104 -10.781 -17.368 7.386 1.00 0.00 O ATOM 1625 CB PRO A 104 -8.760 -17.682 4.669 1.00 0.00 C ATOM 1626 CG PRO A 104 -7.453 -17.241 4.104 1.00 0.00 C ATOM 1627 CD PRO A 104 -6.596 -16.876 5.283 1.00 0.00 C ATOM 0 HA PRO A 104 -9.579 -15.959 5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.750 -18.746 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.572 -17.521 3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.993 -18.036 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.583 -16.389 3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.998 -17.722 5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.902 -16.071 5.042 1.00 0.00 H new ATOM 1635 N GLU A 105 -8.941 -18.657 7.531 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.489 -19.512 8.576 1.00 0.00 C ATOM 1637 C GLU A 105 -9.839 -18.699 9.818 1.00 0.00 C ATOM 1638 O GLU A 105 -10.874 -18.923 10.448 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.489 -20.615 8.936 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.886 -21.988 8.418 1.00 0.00 C ATOM 1641 CD GLU A 105 -10.190 -22.481 9.014 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -10.265 -22.610 10.254 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -11.137 -22.738 8.240 1.00 0.00 O ATOM 0 H GLU A 105 -7.995 -18.902 7.239 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.403 -19.969 8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.511 -20.353 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.386 -20.661 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.978 -21.950 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.094 -22.701 8.646 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.973 -17.753 10.165 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.192 -16.907 11.332 1.00 0.00 C ATOM 1652 C GLN A 106 -10.474 -16.095 11.183 1.00 0.00 C ATOM 1653 O GLN A 106 -11.355 -16.144 12.043 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.001 -15.969 11.539 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.916 -16.552 12.431 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.386 -15.549 13.436 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.743 -14.372 13.404 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -5.529 -16.013 14.339 1.00 0.00 N ATOM 0 H GLN A 106 -8.113 -17.553 9.655 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.292 -17.553 12.204 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.569 -15.724 10.569 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.356 -15.035 11.975 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.313 -17.417 12.962 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.094 -16.908 11.811 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.260 -16.997 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.140 -15.385 15.042 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.574 -15.348 10.088 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.750 -14.525 9.827 1.00 0.00 C ATOM 1669 C TRP A 107 -13.012 -15.380 9.768 1.00 0.00 C ATOM 1670 O TRP A 107 -14.089 -14.943 10.176 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.581 -13.754 8.520 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.099 -12.352 8.596 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.348 -11.922 8.258 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.383 -11.198 9.045 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.453 -10.567 8.464 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.258 -10.100 8.947 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.087 -10.987 9.518 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.877 -8.810 9.306 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.709 -9.706 9.874 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.601 -8.632 9.767 1.00 0.00 C ATOM 0 H TRP A 107 -9.855 -15.296 9.367 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.853 -13.815 10.647 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.525 -13.731 8.252 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.101 -14.285 7.722 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.139 -12.554 7.883 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.283 -10.002 8.287 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.392 -11.809 9.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.563 -7.980 9.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.709 -9.530 10.241 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.275 -7.643 10.054 1.00 0.00 H new ATOM 1691 N THR A 108 -12.874 -16.598 9.256 1.00 0.00 N ATOM 1692 CA THR A 108 -14.001 -17.513 9.142 1.00 0.00 C ATOM 1693 C THR A 108 -14.605 -17.811 10.511 1.00 0.00 C ATOM 1694 O THR A 108 -15.826 -17.836 10.669 1.00 0.00 O ATOM 1695 CB THR A 108 -13.559 -18.814 8.472 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.962 -18.553 7.214 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.694 -19.787 8.249 1.00 0.00 C ATOM 0 H THR A 108 -11.990 -16.974 8.913 1.00 0.00 H new ATOM 0 HA THR A 108 -14.764 -17.035 8.528 1.00 0.00 H new ATOM 0 HB THR A 108 -12.845 -19.266 9.161 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.001 -18.403 7.333 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.312 -20.689 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.143 -20.048 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.447 -19.327 7.608 1.00 0.00 H new