USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 677 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Set 2.1: A 55 CYS SG : rot 36:sc= 0.895 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -1.7 K(o=-0.8,f=-2.1!) USER MOD Set 3.1: A 43 MET CE :methyl -175:sc= -0.774 (180deg=-0.811) USER MOD Set 3.2: A 59 GLN : amide:sc= 0.0912 K(o=-0.68,f=-2.8!) USER MOD Set 4.1: A 35 SER OG : rot -130:sc= -0.934 USER MOD Set 4.2: A 39 SER OG : rot -68:sc= 0.624 USER MOD Set 4.3: A 93 ASN : amide:sc= 0.0902 K(o=-0.22,f=-1.5) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.82! K(o=-2.8!,f=-1.4) USER MOD Single : A 36 SER OG : rot 180:sc= -0.211 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 138:sc= -0.762 (180deg=-3.43!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.186 K(o=0.19,f=-0.34) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 164:sc= -0.544 USER MOD Single : A 73 HIS : no HD1:sc= -2.89! K(o=-2.9!,f=-1.2) USER MOD Single : A 76 ASN : amide:sc= -2.32! C(o=-2.3!,f=-3.2!) USER MOD Single : A 79 GLN : amide:sc= -0.0527 K(o=-0.053,f=-1.6) USER MOD Single : A 82 MET CE :methyl 178:sc= -4.21! (180deg=-4.21!) USER MOD Single : A 85 CYS SG : rot 180:sc= -0.0765 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 12:sc= 1.05 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -2.36! K(o=-2.4!,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 168:sc=-0.00535 (180deg=-0.156) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 4.763 -14.645 2.978 1.00 0.00 N ATOM 458 CA ASN A 29 4.287 -13.268 2.902 1.00 0.00 C ATOM 459 C ASN A 29 4.201 -12.801 1.452 1.00 0.00 C ATOM 460 O ASN A 29 5.215 -12.697 0.761 1.00 0.00 O ATOM 461 CB ASN A 29 5.211 -12.342 3.694 1.00 0.00 C ATOM 462 CG ASN A 29 4.850 -12.284 5.166 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.862 -11.657 5.549 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.650 -12.940 5.998 1.00 0.00 N ATOM 0 HA ASN A 29 3.288 -13.231 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.241 -12.684 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.164 -11.338 3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.457 -12.938 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.458 -13.446 5.636 1.00 0.00 H new ATOM 471 N LEU A 30 2.985 -12.521 0.997 1.00 0.00 N ATOM 472 CA LEU A 30 2.766 -12.064 -0.371 1.00 0.00 C ATOM 473 C LEU A 30 2.416 -10.580 -0.399 1.00 0.00 C ATOM 474 O LEU A 30 1.572 -10.115 0.367 1.00 0.00 O ATOM 475 CB LEU A 30 1.648 -12.876 -1.028 1.00 0.00 C ATOM 476 CG LEU A 30 2.035 -14.267 -1.530 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.802 -15.034 -1.980 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.044 -14.162 -2.665 1.00 0.00 C ATOM 0 H LEU A 30 2.135 -12.602 1.555 1.00 0.00 H new ATOM 0 HA LEU A 30 3.690 -12.211 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.835 -12.984 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.257 -12.304 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 30 2.498 -14.814 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.097 -16.022 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.113 -15.140 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.310 -14.491 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.308 -15.161 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.608 -13.597 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.939 -13.652 -2.310 1.00 0.00 H new ATOM 490 N TYR A 31 3.069 -9.841 -1.289 1.00 0.00 N ATOM 491 CA TYR A 31 2.828 -8.409 -1.418 1.00 0.00 C ATOM 492 C TYR A 31 2.160 -8.086 -2.752 1.00 0.00 C ATOM 493 O TYR A 31 2.299 -8.829 -3.724 1.00 0.00 O ATOM 494 CB TYR A 31 4.141 -7.635 -1.293 1.00 0.00 C ATOM 495 CG TYR A 31 5.060 -8.173 -0.219 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.779 -9.345 -0.415 1.00 0.00 C ATOM 497 CD2 TYR A 31 5.210 -7.508 0.992 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.619 -9.841 0.563 1.00 0.00 C ATOM 499 CE2 TYR A 31 6.049 -7.995 1.975 1.00 0.00 C ATOM 500 CZ TYR A 31 6.751 -9.162 1.757 1.00 0.00 C ATOM 501 OH TYR A 31 7.588 -9.651 2.733 1.00 0.00 O ATOM 0 H TYR A 31 3.770 -10.210 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 31 2.158 -8.107 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.661 -7.660 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.918 -6.590 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.680 -9.878 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.661 -6.595 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.169 -10.755 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.155 -7.465 2.910 1.00 0.00 H new ATOM 0 HH TYR A 31 7.568 -9.055 3.510 1.00 0.00 H new ATOM 511 N PHE A 32 1.436 -6.973 -2.790 1.00 0.00 N ATOM 512 CA PHE A 32 0.746 -6.551 -4.003 1.00 0.00 C ATOM 513 C PHE A 32 0.493 -5.046 -3.989 1.00 0.00 C ATOM 514 O PHE A 32 -0.056 -4.508 -3.028 1.00 0.00 O ATOM 515 CB PHE A 32 -0.579 -7.301 -4.149 1.00 0.00 C ATOM 516 CG PHE A 32 -0.460 -8.780 -3.913 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.405 -9.286 -2.624 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.402 -9.662 -4.979 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.296 -10.647 -2.403 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.293 -11.023 -4.764 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.239 -11.516 -3.475 1.00 0.00 C ATOM 0 H PHE A 32 1.312 -6.347 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 32 1.384 -6.787 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.302 -6.886 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.975 -7.132 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.448 -8.610 -1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.442 -9.282 -5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.256 -11.030 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.250 -11.701 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.152 -12.579 -3.306 1.00 0.00 H new ATOM 531 N GLN A 33 0.897 -4.374 -5.062 1.00 0.00 N ATOM 532 CA GLN A 33 0.715 -2.931 -5.172 1.00 0.00 C ATOM 533 C GLN A 33 -0.474 -2.599 -6.068 1.00 0.00 C ATOM 534 O GLN A 33 -0.729 -3.285 -7.057 1.00 0.00 O ATOM 535 CB GLN A 33 1.983 -2.277 -5.724 1.00 0.00 C ATOM 536 CG GLN A 33 1.736 -0.926 -6.376 1.00 0.00 C ATOM 537 CD GLN A 33 1.252 0.119 -5.390 1.00 0.00 C ATOM 538 OE1 GLN A 33 1.867 0.334 -4.344 1.00 0.00 O ATOM 539 NE2 GLN A 33 0.145 0.775 -5.717 1.00 0.00 N ATOM 0 H GLN A 33 1.352 -4.805 -5.867 1.00 0.00 H new ATOM 0 HA GLN A 33 0.516 -2.538 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.701 -2.154 -4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.438 -2.946 -6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.657 -0.579 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.998 -1.040 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.332 0.565 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.228 1.489 -5.092 1.00 0.00 H new ATOM 548 N GLY A 34 -1.199 -1.543 -5.713 1.00 0.00 N ATOM 549 CA GLY A 34 -2.353 -1.139 -6.495 1.00 0.00 C ATOM 550 C GLY A 34 -3.456 -0.549 -5.638 1.00 0.00 C ATOM 551 O GLY A 34 -4.566 -1.079 -5.592 1.00 0.00 O ATOM 0 H GLY A 34 -1.008 -0.960 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.044 -0.406 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.740 -2.001 -7.038 1.00 0.00 H new ATOM 555 N SER A 35 -3.150 0.550 -4.957 1.00 0.00 N ATOM 556 CA SER A 35 -4.122 1.209 -4.093 1.00 0.00 C ATOM 557 C SER A 35 -5.203 1.899 -4.920 1.00 0.00 C ATOM 558 O SER A 35 -4.906 2.638 -5.858 1.00 0.00 O ATOM 559 CB SER A 35 -3.426 2.229 -3.190 1.00 0.00 C ATOM 560 OG SER A 35 -2.997 1.630 -1.980 1.00 0.00 O ATOM 0 H SER A 35 -2.237 1.003 -4.987 1.00 0.00 H new ATOM 0 HA SER A 35 -4.594 0.448 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.570 2.656 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.108 3.050 -2.971 1.00 0.00 H new ATOM 0 HG SER A 35 -3.298 2.173 -1.222 1.00 0.00 H new ATOM 566 N SER A 36 -6.460 1.653 -4.563 1.00 0.00 N ATOM 567 CA SER A 36 -7.586 2.247 -5.273 1.00 0.00 C ATOM 568 C SER A 36 -7.828 3.679 -4.808 1.00 0.00 C ATOM 569 O SER A 36 -8.884 3.997 -4.263 1.00 0.00 O ATOM 570 CB SER A 36 -8.849 1.409 -5.060 1.00 0.00 C ATOM 571 OG SER A 36 -9.080 1.176 -3.682 1.00 0.00 O ATOM 0 H SER A 36 -6.724 1.046 -3.786 1.00 0.00 H new ATOM 0 HA SER A 36 -7.345 2.265 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.707 1.922 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.750 0.457 -5.581 1.00 0.00 H new ATOM 0 HG SER A 36 -9.893 0.640 -3.573 1.00 0.00 H new ATOM 577 N GLY A 37 -6.839 4.541 -5.026 1.00 0.00 N ATOM 578 CA GLY A 37 -6.962 5.929 -4.623 1.00 0.00 C ATOM 579 C GLY A 37 -6.216 6.229 -3.338 1.00 0.00 C ATOM 580 O GLY A 37 -5.074 6.689 -3.368 1.00 0.00 O ATOM 0 H GLY A 37 -5.955 4.302 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.581 6.570 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.016 6.174 -4.493 1.00 0.00 H new ATOM 584 N SER A 38 -6.862 5.969 -2.206 1.00 0.00 N ATOM 585 CA SER A 38 -6.254 6.218 -0.904 1.00 0.00 C ATOM 586 C SER A 38 -6.017 4.910 -0.156 1.00 0.00 C ATOM 587 O SER A 38 -6.310 3.829 -0.665 1.00 0.00 O ATOM 588 CB SER A 38 -7.144 7.142 -0.071 1.00 0.00 C ATOM 589 OG SER A 38 -8.422 6.567 0.138 1.00 0.00 O ATOM 0 H SER A 38 -7.806 5.586 -2.164 1.00 0.00 H new ATOM 0 HA SER A 38 -5.291 6.702 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.669 7.340 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.252 8.101 -0.577 1.00 0.00 H new ATOM 0 HG SER A 38 -8.971 7.176 0.674 1.00 0.00 H new ATOM 595 N SER A 39 -5.484 5.018 1.057 1.00 0.00 N ATOM 596 CA SER A 39 -5.204 3.845 1.876 1.00 0.00 C ATOM 597 C SER A 39 -6.494 3.250 2.433 1.00 0.00 C ATOM 598 O SER A 39 -6.615 2.035 2.585 1.00 0.00 O ATOM 599 CB SER A 39 -4.261 4.211 3.024 1.00 0.00 C ATOM 600 OG SER A 39 -3.135 4.928 2.550 1.00 0.00 O ATOM 0 H SER A 39 -5.238 5.906 1.494 1.00 0.00 H new ATOM 0 HA SER A 39 -4.723 3.098 1.244 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.795 4.812 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.931 3.304 3.531 1.00 0.00 H new ATOM 0 HG SER A 39 -2.571 4.333 2.013 1.00 0.00 H new ATOM 606 N GLY A 40 -7.456 4.117 2.735 1.00 0.00 N ATOM 607 CA GLY A 40 -8.724 3.659 3.272 1.00 0.00 C ATOM 608 C GLY A 40 -9.491 2.795 2.291 1.00 0.00 C ATOM 609 O GLY A 40 -9.974 1.720 2.646 1.00 0.00 O ATOM 0 H GLY A 40 -7.380 5.127 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.545 3.093 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.332 4.521 3.545 1.00 0.00 H new ATOM 613 N ASP A 41 -9.605 3.266 1.054 1.00 0.00 N ATOM 614 CA ASP A 41 -10.320 2.529 0.018 1.00 0.00 C ATOM 615 C ASP A 41 -9.923 1.056 0.027 1.00 0.00 C ATOM 616 O ASP A 41 -10.776 0.173 -0.061 1.00 0.00 O ATOM 617 CB ASP A 41 -10.038 3.137 -1.357 1.00 0.00 C ATOM 618 CG ASP A 41 -11.200 2.964 -2.316 1.00 0.00 C ATOM 619 OD1 ASP A 41 -11.767 1.853 -2.364 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.540 3.939 -3.018 1.00 0.00 O ATOM 0 H ASP A 41 -9.212 4.155 0.744 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.387 2.601 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.819 4.199 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.148 2.672 -1.781 1.00 0.00 H new ATOM 625 N MET A 42 -8.624 0.799 0.133 1.00 0.00 N ATOM 626 CA MET A 42 -8.114 -0.567 0.154 1.00 0.00 C ATOM 627 C MET A 42 -9.032 -1.477 0.965 1.00 0.00 C ATOM 628 O MET A 42 -9.496 -2.505 0.471 1.00 0.00 O ATOM 629 CB MET A 42 -6.701 -0.599 0.738 1.00 0.00 C ATOM 630 CG MET A 42 -5.620 -0.232 -0.266 1.00 0.00 C ATOM 631 SD MET A 42 -4.968 -1.668 -1.139 1.00 0.00 S ATOM 632 CE MET A 42 -6.078 -1.744 -2.543 1.00 0.00 C ATOM 0 H MET A 42 -7.905 1.519 0.206 1.00 0.00 H new ATOM 0 HA MET A 42 -8.083 -0.932 -0.873 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.650 0.089 1.582 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.500 -1.597 1.127 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.026 0.475 -0.990 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.805 0.275 0.252 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.508 -1.964 -3.446 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.817 -2.528 -2.380 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.585 -0.786 -2.658 1.00 0.00 H new ATOM 642 N MET A 43 -9.290 -1.093 2.210 1.00 0.00 N ATOM 643 CA MET A 43 -10.153 -1.874 3.088 1.00 0.00 C ATOM 644 C MET A 43 -11.518 -2.102 2.446 1.00 0.00 C ATOM 645 O MET A 43 -12.045 -3.214 2.466 1.00 0.00 O ATOM 646 CB MET A 43 -10.322 -1.167 4.434 1.00 0.00 C ATOM 647 CG MET A 43 -9.004 -0.841 5.118 1.00 0.00 C ATOM 648 SD MET A 43 -9.210 -0.429 6.862 1.00 0.00 S ATOM 649 CE MET A 43 -9.263 -2.064 7.592 1.00 0.00 C ATOM 0 H MET A 43 -8.914 -0.245 2.634 1.00 0.00 H new ATOM 0 HA MET A 43 -9.681 -2.843 3.251 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.882 -0.244 4.283 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.919 -1.797 5.094 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.331 -1.694 5.027 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.530 -0.005 4.605 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.476 -1.980 8.658 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.045 -2.652 7.111 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.301 -2.556 7.452 1.00 0.00 H new ATOM 659 N ARG A 44 -12.084 -1.043 1.878 1.00 0.00 N ATOM 660 CA ARG A 44 -13.388 -1.128 1.231 1.00 0.00 C ATOM 661 C ARG A 44 -13.343 -2.080 0.040 1.00 0.00 C ATOM 662 O ARG A 44 -14.063 -3.077 0.004 1.00 0.00 O ATOM 663 CB ARG A 44 -13.845 0.258 0.773 1.00 0.00 C ATOM 664 CG ARG A 44 -14.633 1.020 1.826 1.00 0.00 C ATOM 665 CD ARG A 44 -13.715 1.814 2.742 1.00 0.00 C ATOM 666 NE ARG A 44 -14.435 2.861 3.463 1.00 0.00 N ATOM 667 CZ ARG A 44 -13.999 3.407 4.593 1.00 0.00 C ATOM 668 NH1 ARG A 44 -12.852 3.009 5.127 1.00 0.00 N ATOM 669 NH2 ARG A 44 -14.710 4.355 5.191 1.00 0.00 N ATOM 0 H ARG A 44 -11.660 -0.116 1.852 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.102 -1.517 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.971 0.845 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.459 0.151 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.335 1.696 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.223 0.320 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.244 1.139 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.915 2.263 2.153 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.320 3.191 3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.302 2.282 4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.520 3.430 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.592 4.665 4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.374 4.774 6.059 1.00 0.00 H new ATOM 683 N GLU A 45 -12.493 -1.765 -0.932 1.00 0.00 N ATOM 684 CA GLU A 45 -12.356 -2.593 -2.124 1.00 0.00 C ATOM 685 C GLU A 45 -12.132 -4.055 -1.749 1.00 0.00 C ATOM 686 O GLU A 45 -12.951 -4.919 -2.063 1.00 0.00 O ATOM 687 CB GLU A 45 -11.196 -2.093 -2.988 1.00 0.00 C ATOM 688 CG GLU A 45 -11.389 -2.350 -4.473 1.00 0.00 C ATOM 689 CD GLU A 45 -12.259 -1.300 -5.138 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.107 -0.705 -4.441 1.00 0.00 O ATOM 691 OE2 GLU A 45 -12.091 -1.074 -6.355 1.00 0.00 O ATOM 0 H GLU A 45 -11.889 -0.943 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.282 -2.520 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.069 -1.023 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.275 -2.576 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.416 -2.374 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.841 -3.332 -4.612 1.00 0.00 H new ATOM 698 N ILE A 46 -11.018 -4.323 -1.076 1.00 0.00 N ATOM 699 CA ILE A 46 -10.686 -5.679 -0.658 1.00 0.00 C ATOM 700 C ILE A 46 -11.933 -6.437 -0.213 1.00 0.00 C ATOM 701 O ILE A 46 -12.259 -7.491 -0.760 1.00 0.00 O ATOM 702 CB ILE A 46 -9.661 -5.679 0.491 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.347 -5.046 0.032 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.426 -7.097 0.992 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.509 -4.501 1.167 1.00 0.00 C ATOM 0 H ILE A 46 -10.330 -3.619 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.249 -6.178 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.060 -5.085 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.766 -5.790 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.567 -4.239 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.699 -7.080 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.365 -7.515 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.045 -7.712 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.592 -4.067 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.072 -3.734 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.258 -5.309 1.855 1.00 0.00 H new ATOM 717 N ARG A 47 -12.626 -5.893 0.782 1.00 0.00 N ATOM 718 CA ARG A 47 -13.837 -6.518 1.301 1.00 0.00 C ATOM 719 C ARG A 47 -14.729 -7.002 0.162 1.00 0.00 C ATOM 720 O ARG A 47 -15.198 -8.140 0.166 1.00 0.00 O ATOM 721 CB ARG A 47 -14.606 -5.533 2.183 1.00 0.00 C ATOM 722 CG ARG A 47 -13.958 -5.292 3.536 1.00 0.00 C ATOM 723 CD ARG A 47 -14.448 -3.998 4.167 1.00 0.00 C ATOM 724 NE ARG A 47 -13.919 -3.811 5.515 1.00 0.00 N ATOM 725 CZ ARG A 47 -13.794 -2.624 6.097 1.00 0.00 C ATOM 726 NH1 ARG A 47 -14.160 -1.524 5.453 1.00 0.00 N ATOM 727 NH2 ARG A 47 -13.303 -2.535 7.327 1.00 0.00 N ATOM 0 H ARG A 47 -12.370 -5.021 1.245 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.544 -7.380 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.695 -4.582 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.618 -5.909 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.178 -6.128 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.875 -5.254 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.153 -3.155 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.537 -4.002 4.203 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.630 -4.637 6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.539 -1.588 4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.063 -0.614 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.021 -3.379 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.207 -1.623 7.773 1.00 0.00 H new ATOM 741 N LYS A 48 -14.961 -6.129 -0.813 1.00 0.00 N ATOM 742 CA LYS A 48 -15.797 -6.466 -1.959 1.00 0.00 C ATOM 743 C LYS A 48 -15.285 -7.723 -2.655 1.00 0.00 C ATOM 744 O LYS A 48 -16.063 -8.606 -3.015 1.00 0.00 O ATOM 745 CB LYS A 48 -15.832 -5.301 -2.951 1.00 0.00 C ATOM 746 CG LYS A 48 -16.568 -5.621 -4.240 1.00 0.00 C ATOM 747 CD LYS A 48 -15.638 -6.225 -5.279 1.00 0.00 C ATOM 748 CE LYS A 48 -16.369 -7.212 -6.175 1.00 0.00 C ATOM 749 NZ LYS A 48 -17.030 -6.534 -7.324 1.00 0.00 N ATOM 0 H LYS A 48 -14.581 -5.182 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.807 -6.658 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.307 -4.443 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.810 -5.007 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.382 -6.315 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.018 -4.712 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.206 -5.431 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.811 -6.729 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.664 -7.955 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.117 -7.748 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.517 -7.241 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.721 -5.843 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.314 -6.043 -7.897 1.00 0.00 H new ATOM 763 N VAL A 49 -13.970 -7.799 -2.839 1.00 0.00 N ATOM 764 CA VAL A 49 -13.354 -8.950 -3.489 1.00 0.00 C ATOM 765 C VAL A 49 -13.548 -10.216 -2.663 1.00 0.00 C ATOM 766 O VAL A 49 -13.891 -11.272 -3.196 1.00 0.00 O ATOM 767 CB VAL A 49 -11.848 -8.725 -3.718 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.334 -9.634 -4.824 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.571 -7.265 -4.045 1.00 0.00 C ATOM 0 H VAL A 49 -13.311 -7.077 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.847 -9.070 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.317 -8.975 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.268 -9.461 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.497 -10.675 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.868 -9.419 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.502 -7.124 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.112 -6.986 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.900 -6.638 -3.217 1.00 0.00 H new ATOM 779 N LEU A 50 -13.328 -10.104 -1.358 1.00 0.00 N ATOM 780 CA LEU A 50 -13.478 -11.240 -0.456 1.00 0.00 C ATOM 781 C LEU A 50 -14.862 -11.868 -0.597 1.00 0.00 C ATOM 782 O LEU A 50 -14.989 -13.054 -0.897 1.00 0.00 O ATOM 783 CB LEU A 50 -13.250 -10.802 0.992 1.00 0.00 C ATOM 784 CG LEU A 50 -11.962 -10.024 1.262 1.00 0.00 C ATOM 785 CD1 LEU A 50 -11.852 -9.670 2.737 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.750 -10.827 0.813 1.00 0.00 C ATOM 0 H LEU A 50 -13.045 -9.237 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.731 -11.986 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.095 -10.186 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.254 -11.690 1.624 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.992 -9.098 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.929 -9.117 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.704 -9.056 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.844 -10.584 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.842 -10.258 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.715 -11.769 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.823 -11.030 -0.255 1.00 0.00 H new ATOM 798 N GLY A 51 -15.897 -11.061 -0.380 1.00 0.00 N ATOM 799 CA GLY A 51 -17.257 -11.555 -0.490 1.00 0.00 C ATOM 800 C GLY A 51 -17.528 -12.216 -1.827 1.00 0.00 C ATOM 801 O GLY A 51 -18.322 -13.152 -1.914 1.00 0.00 O ATOM 0 H GLY A 51 -15.818 -10.075 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.446 -12.270 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.953 -10.728 -0.349 1.00 0.00 H new ATOM 805 N ALA A 52 -16.867 -11.728 -2.871 1.00 0.00 N ATOM 806 CA ALA A 52 -17.040 -12.278 -4.210 1.00 0.00 C ATOM 807 C ALA A 52 -16.549 -13.720 -4.279 1.00 0.00 C ATOM 808 O ALA A 52 -17.170 -14.568 -4.919 1.00 0.00 O ATOM 809 CB ALA A 52 -16.309 -11.420 -5.232 1.00 0.00 C ATOM 0 H ALA A 52 -16.207 -10.953 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.105 -12.273 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.447 -11.843 -6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.710 -10.407 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.246 -11.395 -4.993 1.00 0.00 H new ATOM 815 N ASN A 53 -15.429 -13.991 -3.616 1.00 0.00 N ATOM 816 CA ASN A 53 -14.854 -15.331 -3.603 1.00 0.00 C ATOM 817 C ASN A 53 -15.227 -16.071 -2.322 1.00 0.00 C ATOM 818 O ASN A 53 -14.411 -16.792 -1.750 1.00 0.00 O ATOM 819 CB ASN A 53 -13.331 -15.256 -3.737 1.00 0.00 C ATOM 820 CG ASN A 53 -12.879 -15.231 -5.184 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.500 -16.259 -5.746 1.00 0.00 O ATOM 822 ND2 ASN A 53 -12.915 -14.052 -5.795 1.00 0.00 N ATOM 0 H ASN A 53 -14.902 -13.301 -3.081 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.260 -15.882 -4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.968 -14.362 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.882 -16.112 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.621 -13.973 -6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.236 -13.226 -5.291 1.00 0.00 H new ATOM 829 N ASN A 54 -16.466 -15.888 -1.879 1.00 0.00 N ATOM 830 CA ASN A 54 -16.948 -16.538 -0.666 1.00 0.00 C ATOM 831 C ASN A 54 -15.911 -16.447 0.449 1.00 0.00 C ATOM 832 O ASN A 54 -15.651 -17.426 1.151 1.00 0.00 O ATOM 833 CB ASN A 54 -17.284 -18.004 -0.947 1.00 0.00 C ATOM 834 CG ASN A 54 -18.484 -18.158 -1.861 1.00 0.00 C ATOM 835 OD1 ASN A 54 -19.106 -17.172 -2.258 1.00 0.00 O ATOM 836 ND2 ASN A 54 -18.816 -19.399 -2.199 1.00 0.00 N ATOM 0 H ASN A 54 -17.155 -15.295 -2.342 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.851 -16.021 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.421 -18.491 -1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.480 -18.516 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.615 -19.564 -2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.272 -20.186 -1.846 1.00 0.00 H new ATOM 843 N CYS A 55 -15.322 -15.267 0.607 1.00 0.00 N ATOM 844 CA CYS A 55 -14.313 -15.048 1.637 1.00 0.00 C ATOM 845 C CYS A 55 -14.859 -14.164 2.754 1.00 0.00 C ATOM 846 O CYS A 55 -15.422 -13.100 2.498 1.00 0.00 O ATOM 847 CB CYS A 55 -13.064 -14.408 1.028 1.00 0.00 C ATOM 848 SG CYS A 55 -12.280 -15.401 -0.264 1.00 0.00 S ATOM 0 H CYS A 55 -15.526 -14.447 0.035 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.047 -16.016 2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.333 -13.437 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.339 -14.226 1.821 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.194 -16.016 -0.954 1.00 0.00 H new ATOM 854 N ASP A 56 -14.690 -14.614 3.992 1.00 0.00 N ATOM 855 CA ASP A 56 -15.166 -13.865 5.149 1.00 0.00 C ATOM 856 C ASP A 56 -14.046 -13.020 5.748 1.00 0.00 C ATOM 857 O ASP A 56 -12.879 -13.412 5.725 1.00 0.00 O ATOM 858 CB ASP A 56 -15.724 -14.819 6.207 1.00 0.00 C ATOM 859 CG ASP A 56 -16.219 -14.090 7.440 1.00 0.00 C ATOM 860 OD1 ASP A 56 -15.376 -13.673 8.262 1.00 0.00 O ATOM 861 OD2 ASP A 56 -17.450 -13.936 7.583 1.00 0.00 O ATOM 0 H ASP A 56 -14.227 -15.494 4.220 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.962 -13.198 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.543 -15.396 5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.950 -15.530 6.495 1.00 0.00 H new ATOM 866 N TYR A 57 -14.409 -11.860 6.283 1.00 0.00 N ATOM 867 CA TYR A 57 -13.434 -10.957 6.885 1.00 0.00 C ATOM 868 C TYR A 57 -13.936 -10.429 8.225 1.00 0.00 C ATOM 869 O TYR A 57 -15.132 -10.197 8.404 1.00 0.00 O ATOM 870 CB TYR A 57 -13.138 -9.790 5.942 1.00 0.00 C ATOM 871 CG TYR A 57 -14.352 -9.302 5.183 1.00 0.00 C ATOM 872 CD1 TYR A 57 -14.986 -10.114 4.251 1.00 0.00 C ATOM 873 CD2 TYR A 57 -14.865 -8.029 5.400 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.094 -9.672 3.555 1.00 0.00 C ATOM 875 CE2 TYR A 57 -15.974 -7.579 4.709 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.585 -8.403 3.788 1.00 0.00 C ATOM 877 OH TYR A 57 -17.689 -7.960 3.098 1.00 0.00 O ATOM 0 H TYR A 57 -15.371 -11.522 6.312 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.515 -11.517 7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.724 -8.963 6.519 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.372 -10.095 5.229 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.606 -11.108 4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.389 -7.380 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.574 -10.316 2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.360 -6.587 4.890 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.906 -7.047 3.380 1.00 0.00 H new ATOM 887 N GLU A 58 -13.013 -10.240 9.163 1.00 0.00 N ATOM 888 CA GLU A 58 -13.362 -9.738 10.487 1.00 0.00 C ATOM 889 C GLU A 58 -12.451 -8.582 10.888 1.00 0.00 C ATOM 890 O GLU A 58 -11.294 -8.788 11.254 1.00 0.00 O ATOM 891 CB GLU A 58 -13.266 -10.860 11.523 1.00 0.00 C ATOM 892 CG GLU A 58 -13.475 -10.389 12.952 1.00 0.00 C ATOM 893 CD GLU A 58 -13.942 -11.501 13.871 1.00 0.00 C ATOM 894 OE1 GLU A 58 -14.584 -12.450 13.375 1.00 0.00 O ATOM 895 OE2 GLU A 58 -13.665 -11.421 15.086 1.00 0.00 O ATOM 0 H GLU A 58 -12.019 -10.427 9.031 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.388 -9.373 10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.008 -11.623 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.287 -11.332 11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.542 -9.975 13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.209 -9.583 12.961 1.00 0.00 H new ATOM 902 N GLN A 59 -12.982 -7.365 10.815 1.00 0.00 N ATOM 903 CA GLN A 59 -12.216 -6.176 11.168 1.00 0.00 C ATOM 904 C GLN A 59 -11.875 -6.171 12.655 1.00 0.00 C ATOM 905 O GLN A 59 -12.745 -5.964 13.501 1.00 0.00 O ATOM 906 CB GLN A 59 -13.001 -4.913 10.809 1.00 0.00 C ATOM 907 CG GLN A 59 -12.118 -3.730 10.448 1.00 0.00 C ATOM 908 CD GLN A 59 -12.754 -2.399 10.797 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.878 -2.347 11.296 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.036 -1.312 10.536 1.00 0.00 N ATOM 0 H GLN A 59 -13.939 -7.177 10.515 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.286 -6.191 10.600 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.662 -5.132 9.970 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.636 -4.638 11.651 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.165 -3.821 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.901 -3.756 9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.108 -1.401 10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.413 -0.389 10.750 1.00 0.00 H new ATOM 919 N ARG A 60 -10.603 -6.399 12.965 1.00 0.00 N ATOM 920 CA ARG A 60 -10.147 -6.422 14.350 1.00 0.00 C ATOM 921 C ARG A 60 -9.744 -5.025 14.813 1.00 0.00 C ATOM 922 O ARG A 60 -10.137 -4.583 15.892 1.00 0.00 O ATOM 923 CB ARG A 60 -8.965 -7.382 14.504 1.00 0.00 C ATOM 924 CG ARG A 60 -9.367 -8.848 14.500 1.00 0.00 C ATOM 925 CD ARG A 60 -10.000 -9.256 15.821 1.00 0.00 C ATOM 926 NE ARG A 60 -10.020 -10.706 15.993 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.811 -11.333 16.857 1.00 0.00 C ATOM 928 NH1 ARG A 60 -11.642 -10.639 17.623 1.00 0.00 N ATOM 929 NH2 ARG A 60 -10.772 -12.655 16.956 1.00 0.00 N ATOM 0 H ARG A 60 -9.870 -6.570 12.276 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.972 -6.769 14.972 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.257 -7.206 13.694 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.446 -7.159 15.436 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.069 -9.032 13.687 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.490 -9.466 14.309 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.448 -8.801 16.643 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.019 -8.871 15.869 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.392 -11.268 15.418 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.675 -9.622 17.549 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.249 -11.122 18.286 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.134 -13.192 16.368 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.380 -13.135 17.620 1.00 0.00 H new ATOM 943 N GLU A 61 -8.959 -4.337 13.990 1.00 0.00 N ATOM 944 CA GLU A 61 -8.503 -2.991 14.317 1.00 0.00 C ATOM 945 C GLU A 61 -8.951 -1.992 13.254 1.00 0.00 C ATOM 946 O GLU A 61 -9.622 -2.356 12.288 1.00 0.00 O ATOM 947 CB GLU A 61 -6.979 -2.963 14.449 1.00 0.00 C ATOM 948 CG GLU A 61 -6.443 -3.914 15.506 1.00 0.00 C ATOM 949 CD GLU A 61 -4.932 -3.862 15.625 1.00 0.00 C ATOM 950 OE1 GLU A 61 -4.255 -3.801 14.577 1.00 0.00 O ATOM 951 OE2 GLU A 61 -4.426 -3.881 16.767 1.00 0.00 O ATOM 0 H GLU A 61 -8.626 -4.689 13.093 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.948 -2.705 15.270 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.534 -3.215 13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.662 -1.948 14.691 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.888 -3.668 16.470 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.750 -4.931 15.263 1.00 0.00 H new ATOM 958 N ARG A 62 -8.575 -0.731 13.440 1.00 0.00 N ATOM 959 CA ARG A 62 -8.939 0.321 12.499 1.00 0.00 C ATOM 960 C ARG A 62 -8.518 -0.049 11.080 1.00 0.00 C ATOM 961 O ARG A 62 -9.354 -0.159 10.182 1.00 0.00 O ATOM 962 CB ARG A 62 -8.289 1.645 12.906 1.00 0.00 C ATOM 963 CG ARG A 62 -8.324 2.702 11.814 1.00 0.00 C ATOM 964 CD ARG A 62 -8.223 4.105 12.392 1.00 0.00 C ATOM 965 NE ARG A 62 -9.513 4.592 12.874 1.00 0.00 N ATOM 966 CZ ARG A 62 -9.918 4.479 14.134 1.00 0.00 C ATOM 967 NH1 ARG A 62 -9.137 3.898 15.035 1.00 0.00 N ATOM 968 NH2 ARG A 62 -11.106 4.948 14.495 1.00 0.00 N ATOM 0 H ARG A 62 -8.019 -0.413 14.234 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.023 0.434 12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.795 2.032 13.791 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.252 1.460 13.187 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.502 2.534 11.118 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.249 2.608 11.245 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.505 4.109 13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.841 4.784 11.630 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.137 5.044 12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.223 3.537 14.761 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.450 3.812 16.002 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.709 5.396 13.805 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.416 4.861 15.463 1.00 0.00 H new ATOM 982 N PHE A 63 -7.218 -0.241 10.884 1.00 0.00 N ATOM 983 CA PHE A 63 -6.687 -0.598 9.574 1.00 0.00 C ATOM 984 C PHE A 63 -6.254 -2.061 9.543 1.00 0.00 C ATOM 985 O PHE A 63 -5.105 -2.374 9.229 1.00 0.00 O ATOM 986 CB PHE A 63 -5.503 0.304 9.218 1.00 0.00 C ATOM 987 CG PHE A 63 -5.909 1.681 8.778 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.627 1.865 7.608 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.573 2.792 9.536 1.00 0.00 C ATOM 990 CE1 PHE A 63 -7.002 3.132 7.200 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.945 4.061 9.134 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.662 4.231 7.965 1.00 0.00 C ATOM 0 H PHE A 63 -6.513 -0.155 11.616 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.478 -0.456 8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.847 0.387 10.084 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.924 -0.167 8.423 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.897 1.009 7.007 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.014 2.664 10.451 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.560 3.262 6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.676 4.919 9.733 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.956 5.221 7.650 1.00 0.00 H new ATOM 1002 N LEU A 64 -7.182 -2.953 9.870 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.898 -4.384 9.880 1.00 0.00 C ATOM 1004 C LEU A 64 -8.151 -5.190 9.554 1.00 0.00 C ATOM 1005 O LEU A 64 -9.266 -4.789 9.891 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.348 -4.805 11.244 1.00 0.00 C ATOM 1007 CG LEU A 64 -6.057 -6.296 11.419 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.914 -6.727 10.514 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.737 -6.609 12.873 1.00 0.00 C ATOM 0 H LEU A 64 -8.138 -2.711 10.132 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.149 -4.586 9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.427 -4.251 11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.061 -4.502 12.010 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.948 -6.857 11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.722 -7.791 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.182 -6.539 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.017 -6.160 10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.533 -7.674 12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.862 -6.039 13.184 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.587 -6.339 13.499 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.961 -6.329 8.898 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.076 -7.194 8.528 1.00 0.00 C ATOM 1023 C LEU A 65 -8.638 -8.654 8.474 1.00 0.00 C ATOM 1024 O LEU A 65 -7.725 -9.012 7.730 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.648 -6.771 7.173 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.639 -5.607 7.197 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.748 -4.970 5.820 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.004 -6.078 7.678 1.00 0.00 C ATOM 0 H LEU A 65 -7.045 -6.675 8.611 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.849 -7.094 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.819 -6.502 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.142 -7.633 6.724 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.270 -4.855 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.458 -4.144 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.771 -4.596 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.093 -5.713 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.696 -5.236 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.380 -6.849 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.914 -6.487 8.685 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.297 -9.494 9.266 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.977 -10.916 9.308 1.00 0.00 C ATOM 1042 C PHE A 66 -9.690 -11.667 8.188 1.00 0.00 C ATOM 1043 O PHE A 66 -10.840 -12.084 8.339 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.366 -11.508 10.663 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.806 -12.881 10.901 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.541 -13.043 11.443 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.544 -14.010 10.583 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.022 -14.306 11.661 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.031 -15.275 10.800 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.769 -15.423 11.341 1.00 0.00 C ATOM 0 H PHE A 66 -10.056 -9.214 9.887 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.902 -11.025 9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.021 -10.842 11.454 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.453 -11.551 10.733 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.954 -12.173 11.698 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.532 -13.900 10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.033 -14.419 12.081 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.616 -16.147 10.547 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.367 -16.410 11.514 1.00 0.00 H new ATOM 1060 N CYS A 67 -9.002 -11.836 7.065 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.569 -12.536 5.918 1.00 0.00 C ATOM 1062 C CYS A 67 -9.470 -14.047 6.099 1.00 0.00 C ATOM 1063 O CYS A 67 -8.476 -14.557 6.616 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.854 -12.117 4.633 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.976 -10.351 4.262 1.00 0.00 S ATOM 0 H CYS A 67 -8.050 -11.498 6.924 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.622 -12.265 5.844 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.801 -12.389 4.710 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.269 -12.682 3.798 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.076 -10.030 3.381 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.508 -14.759 5.672 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.538 -16.212 5.787 1.00 0.00 C ATOM 1073 C VAL A 68 -11.395 -16.833 4.690 1.00 0.00 C ATOM 1074 O VAL A 68 -12.571 -16.501 4.543 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.081 -16.655 7.159 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.541 -16.255 7.310 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.908 -18.155 7.341 1.00 0.00 C ATOM 0 H VAL A 68 -11.340 -14.353 5.243 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.510 -16.559 5.681 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.509 -16.150 7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.907 -16.576 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.632 -15.172 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.131 -16.730 6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.297 -18.451 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.453 -18.682 6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.850 -18.409 7.280 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.797 -17.738 3.921 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.506 -18.407 2.836 1.00 0.00 C ATOM 1089 C HIS A 69 -11.809 -19.858 3.199 1.00 0.00 C ATOM 1090 O HIS A 69 -10.992 -20.537 3.819 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.682 -18.353 1.549 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.236 -19.201 0.446 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -11.235 -20.579 0.484 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -11.812 -18.858 -0.729 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.786 -21.048 -0.622 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.145 -20.024 -1.375 1.00 0.00 N ATOM 0 H HIS A 69 -9.824 -18.025 4.029 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.450 -17.885 2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.625 -17.319 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.663 -18.674 1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -11.979 -17.855 -1.092 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.920 -22.091 -0.868 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.596 -20.088 -2.288 1.00 0.00 H new ATOM 1105 N GLY A 70 -12.990 -20.327 2.807 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.380 -21.693 3.101 1.00 0.00 C ATOM 1107 C GLY A 70 -14.877 -21.906 2.986 1.00 0.00 C ATOM 1108 O GLY A 70 -15.639 -21.484 3.855 1.00 0.00 O ATOM 0 H GLY A 70 -13.683 -19.785 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.866 -22.369 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.056 -21.951 4.109 1.00 0.00 H new ATOM 1112 N ASP A 71 -15.298 -22.562 1.910 1.00 0.00 N ATOM 1113 CA ASP A 71 -16.714 -22.830 1.684 1.00 0.00 C ATOM 1114 C ASP A 71 -17.335 -23.526 2.891 1.00 0.00 C ATOM 1115 O ASP A 71 -18.545 -23.463 3.102 1.00 0.00 O ATOM 1116 CB ASP A 71 -16.899 -23.690 0.433 1.00 0.00 C ATOM 1117 CG ASP A 71 -18.283 -24.303 0.351 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -18.512 -25.338 1.010 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -19.136 -23.748 -0.373 1.00 0.00 O ATOM 0 H ASP A 71 -14.680 -22.918 1.181 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.220 -21.876 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.722 -23.080 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.152 -24.484 0.428 1.00 0.00 H new ATOM 1124 N GLY A 72 -16.496 -24.190 3.681 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.981 -24.890 4.856 1.00 0.00 C ATOM 1126 C GLY A 72 -16.229 -26.180 5.114 1.00 0.00 C ATOM 1127 O GLY A 72 -16.797 -27.147 5.625 1.00 0.00 O ATOM 0 H GLY A 72 -15.490 -24.255 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.890 -24.240 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -18.041 -25.110 4.732 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.948 -26.198 4.760 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.117 -27.380 4.956 1.00 0.00 C ATOM 1133 C HIS A 73 -12.700 -26.987 5.363 1.00 0.00 C ATOM 1134 O HIS A 73 -11.950 -26.421 4.568 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.079 -28.220 3.678 1.00 0.00 C ATOM 1136 CG HIS A 73 -15.391 -28.276 2.959 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -15.536 -27.939 1.630 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -16.623 -28.635 3.391 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -16.800 -28.086 1.276 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -17.481 -28.508 2.326 1.00 0.00 N ATOM 0 H HIS A 73 -14.463 -25.407 4.336 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.555 -27.973 5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.323 -27.811 3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -13.768 -29.234 3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.883 -28.961 4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -17.208 -27.894 0.294 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -18.481 -28.707 2.343 1.00 0.00 H new ATOM 1149 N ALA A 74 -12.341 -27.292 6.605 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.014 -26.971 7.117 1.00 0.00 C ATOM 1151 C ALA A 74 -9.935 -27.309 6.094 1.00 0.00 C ATOM 1152 O ALA A 74 -8.936 -26.600 5.977 1.00 0.00 O ATOM 1153 CB ALA A 74 -10.758 -27.713 8.421 1.00 0.00 C ATOM 0 H ALA A 74 -12.950 -27.761 7.276 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.974 -25.899 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.764 -27.464 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.505 -27.420 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.822 -28.787 8.247 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.143 -28.396 5.357 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.186 -28.827 4.345 1.00 0.00 C ATOM 1161 C GLU A 75 -8.889 -27.699 3.362 1.00 0.00 C ATOM 1162 O GLU A 75 -7.738 -27.470 2.993 1.00 0.00 O ATOM 1163 CB GLU A 75 -9.721 -30.047 3.593 1.00 0.00 C ATOM 1164 CG GLU A 75 -11.068 -29.811 2.930 1.00 0.00 C ATOM 1165 CD GLU A 75 -11.526 -30.996 2.103 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -10.954 -31.218 1.015 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -12.458 -31.702 2.543 1.00 0.00 O ATOM 0 H GLU A 75 -10.965 -28.994 5.442 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.259 -29.098 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.998 -30.340 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.809 -30.882 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.813 -29.597 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.005 -28.930 2.292 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.937 -26.998 2.941 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.789 -25.894 1.999 1.00 0.00 C ATOM 1176 C ASN A 76 -9.972 -24.552 2.701 1.00 0.00 C ATOM 1177 O ASN A 76 -10.423 -23.578 2.096 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.802 -26.029 0.860 1.00 0.00 C ATOM 1179 CG ASN A 76 -10.967 -27.464 0.400 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -10.008 -28.236 0.383 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.188 -27.828 0.025 1.00 0.00 N ATOM 0 H ASN A 76 -10.897 -27.175 3.237 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.781 -25.934 1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.767 -25.642 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.482 -25.415 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.361 -28.781 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.953 -27.154 0.056 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.618 -24.507 3.980 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.742 -23.284 4.766 1.00 0.00 C ATOM 1190 C LEU A 77 -8.385 -22.610 4.943 1.00 0.00 C ATOM 1191 O LEU A 77 -7.394 -23.263 5.268 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.353 -23.592 6.134 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.951 -22.403 6.886 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.423 -22.238 6.541 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.769 -22.575 8.387 1.00 0.00 C ATOM 0 H LEU A 77 -9.243 -25.303 4.495 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.399 -22.601 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.133 -24.341 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.583 -24.042 6.760 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.424 -21.500 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.831 -21.387 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.529 -22.068 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.966 -23.141 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.201 -21.719 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.270 -23.487 8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.706 -22.642 8.619 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.348 -21.299 4.728 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.114 -20.536 4.867 1.00 0.00 C ATOM 1209 C VAL A 78 -7.370 -19.195 5.546 1.00 0.00 C ATOM 1210 O VAL A 78 -8.279 -18.459 5.164 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.451 -20.287 3.499 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.167 -19.487 3.665 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.179 -21.606 2.792 1.00 0.00 C ATOM 0 H VAL A 78 -9.159 -20.743 4.457 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.442 -21.131 5.486 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.136 -19.705 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.713 -19.321 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.394 -18.526 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.473 -20.040 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.711 -21.412 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.513 -22.216 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.118 -22.137 2.639 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.562 -18.885 6.555 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.702 -17.632 7.288 1.00 0.00 C ATOM 1225 C GLN A 79 -5.527 -16.701 7.004 1.00 0.00 C ATOM 1226 O GLN A 79 -4.369 -17.118 7.042 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.801 -17.903 8.790 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.088 -18.603 9.198 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.930 -19.424 10.462 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.318 -18.978 11.433 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.484 -20.631 10.457 1.00 0.00 N ATOM 0 H GLN A 79 -5.804 -19.484 6.883 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.618 -17.145 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.952 -18.513 9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.725 -16.958 9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.870 -17.859 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.417 -19.252 8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.982 -20.960 9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.411 -21.229 11.280 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.833 -15.441 6.719 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.802 -14.451 6.428 1.00 0.00 C ATOM 1242 C TRP A 80 -5.289 -13.045 6.759 1.00 0.00 C ATOM 1243 O TRP A 80 -6.389 -12.653 6.371 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.391 -14.529 4.957 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.373 -13.878 4.031 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.339 -12.591 3.573 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.536 -14.481 3.452 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.410 -12.358 2.744 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.159 -13.502 2.653 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.109 -15.753 3.528 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.326 -13.757 1.939 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.268 -16.004 2.819 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.867 -15.011 2.032 1.00 0.00 C ATOM 0 H TRP A 80 -6.786 -15.080 6.683 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.936 -14.671 7.052 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.417 -14.055 4.834 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.275 -15.575 4.675 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.582 -11.864 3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.614 -11.477 2.273 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.654 -16.526 4.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.789 -12.992 1.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.721 -16.983 2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.772 -15.239 1.489 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.462 -12.290 7.477 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.811 -10.927 7.859 1.00 0.00 C ATOM 1266 C GLU A 81 -4.266 -9.922 6.848 1.00 0.00 C ATOM 1267 O GLU A 81 -3.078 -9.932 6.527 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.267 -10.610 9.254 1.00 0.00 C ATOM 1269 CG GLU A 81 -5.165 -11.093 10.381 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.657 -10.680 11.749 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.685 -11.299 12.231 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.230 -9.740 12.337 1.00 0.00 O ATOM 0 H GLU A 81 -3.547 -12.599 7.805 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.898 -10.848 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.283 -11.066 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.131 -9.532 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.170 -10.696 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.242 -12.179 10.339 1.00 0.00 H new ATOM 1279 N MET A 82 -5.143 -9.057 6.351 1.00 0.00 N ATOM 1280 CA MET A 82 -4.750 -8.045 5.377 1.00 0.00 C ATOM 1281 C MET A 82 -4.707 -6.661 6.018 1.00 0.00 C ATOM 1282 O MET A 82 -5.729 -5.984 6.121 1.00 0.00 O ATOM 1283 CB MET A 82 -5.719 -8.042 4.194 1.00 0.00 C ATOM 1284 CG MET A 82 -5.496 -9.189 3.222 1.00 0.00 C ATOM 1285 SD MET A 82 -6.540 -9.072 1.757 1.00 0.00 S ATOM 1286 CE MET A 82 -5.797 -7.672 0.922 1.00 0.00 C ATOM 0 H MET A 82 -6.130 -9.036 6.606 1.00 0.00 H new ATOM 0 HA MET A 82 -3.751 -8.291 5.018 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.740 -8.090 4.572 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.622 -7.098 3.658 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.450 -9.203 2.917 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.693 -10.133 3.729 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.312 -7.497 -0.023 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.882 -6.786 1.551 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.745 -7.880 0.729 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.518 -6.249 6.447 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.345 -4.946 7.079 1.00 0.00 C ATOM 1298 C GLU A 83 -2.717 -3.950 6.108 1.00 0.00 C ATOM 1299 O GLU A 83 -1.710 -4.245 5.464 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.474 -5.074 8.331 1.00 0.00 C ATOM 1301 CG GLU A 83 -2.097 -3.738 8.949 1.00 0.00 C ATOM 1302 CD GLU A 83 -1.730 -3.856 10.415 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -2.619 -4.200 11.222 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -0.556 -3.605 10.756 1.00 0.00 O ATOM 0 H GLU A 83 -2.662 -6.798 6.369 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.329 -4.576 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.004 -5.671 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.564 -5.617 8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.256 -3.313 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.931 -3.044 8.842 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.319 -2.770 6.009 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.820 -1.729 5.118 1.00 0.00 C ATOM 1313 C VAL A 84 -1.683 -0.949 5.767 1.00 0.00 C ATOM 1314 O VAL A 84 -1.911 -0.112 6.642 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.938 -0.748 4.718 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.386 0.360 3.834 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.069 -1.487 4.018 1.00 0.00 C ATOM 0 H VAL A 84 -4.153 -2.510 6.535 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.449 -2.230 4.223 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.338 -0.291 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.191 1.043 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.614 0.906 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.958 -0.075 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.850 -0.779 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.686 -1.972 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.482 -2.240 4.689 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.458 -1.228 5.334 1.00 0.00 N ATOM 1328 CA CYS A 85 0.716 -0.552 5.874 1.00 0.00 C ATOM 1329 C CYS A 85 1.444 0.228 4.783 1.00 0.00 C ATOM 1330 O CYS A 85 1.034 0.223 3.622 1.00 0.00 O ATOM 1331 CB CYS A 85 1.666 -1.566 6.512 1.00 0.00 C ATOM 1332 SG CYS A 85 1.283 -1.952 8.237 1.00 0.00 S ATOM 0 H CYS A 85 -0.252 -1.917 4.611 1.00 0.00 H new ATOM 0 HA CYS A 85 0.381 0.151 6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.641 -2.487 5.930 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.684 -1.180 6.454 1.00 0.00 H new ATOM 0 HG CYS A 85 2.140 -2.820 8.688 1.00 0.00 H new ATOM 1466 N ASN A 93 1.461 2.008 -0.308 1.00 0.00 N ATOM 1467 CA ASN A 93 0.482 1.380 0.572 1.00 0.00 C ATOM 1468 C ASN A 93 0.344 -0.107 0.259 1.00 0.00 C ATOM 1469 O ASN A 93 -0.670 -0.727 0.576 1.00 0.00 O ATOM 1470 CB ASN A 93 -0.876 2.070 0.433 1.00 0.00 C ATOM 1471 CG ASN A 93 -0.745 3.550 0.128 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -0.877 4.392 1.017 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -0.484 3.873 -1.133 1.00 0.00 N ATOM 0 HA ASN A 93 0.832 1.486 1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.446 1.587 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.442 1.941 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.385 4.853 -1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.383 3.141 -1.836 1.00 0.00 H new ATOM 1480 N GLY A 94 1.372 -0.672 -0.367 1.00 0.00 N ATOM 1481 CA GLY A 94 1.346 -2.082 -0.712 1.00 0.00 C ATOM 1482 C GLY A 94 0.602 -2.916 0.312 1.00 0.00 C ATOM 1483 O GLY A 94 0.700 -2.669 1.514 1.00 0.00 O ATOM 0 H GLY A 94 2.222 -0.179 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.876 -2.206 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.368 -2.450 -0.802 1.00 0.00 H new ATOM 1487 N VAL A 95 -0.147 -3.905 -0.165 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.912 -4.778 0.717 1.00 0.00 C ATOM 1489 C VAL A 95 -0.125 -6.038 1.061 1.00 0.00 C ATOM 1490 O VAL A 95 0.145 -6.869 0.194 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.255 -5.183 0.080 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -3.198 -5.745 1.132 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.885 -3.996 -0.633 1.00 0.00 C ATOM 0 H VAL A 95 -0.240 -4.122 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.107 -4.214 1.629 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.067 -5.963 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.141 -6.025 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.747 -6.624 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.383 -4.989 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.833 -4.300 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.060 -3.193 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.214 -3.644 -1.416 1.00 0.00 H new ATOM 1503 N ARG A 96 0.239 -6.173 2.332 1.00 0.00 N ATOM 1504 CA ARG A 96 0.996 -7.332 2.790 1.00 0.00 C ATOM 1505 C ARG A 96 0.060 -8.469 3.191 1.00 0.00 C ATOM 1506 O ARG A 96 -1.022 -8.235 3.731 1.00 0.00 O ATOM 1507 CB ARG A 96 1.887 -6.950 3.973 1.00 0.00 C ATOM 1508 CG ARG A 96 3.270 -6.470 3.564 1.00 0.00 C ATOM 1509 CD ARG A 96 4.211 -6.398 4.757 1.00 0.00 C ATOM 1510 NE ARG A 96 4.107 -5.122 5.459 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.429 -4.958 6.737 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.874 -5.984 7.449 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.307 -3.765 7.306 1.00 0.00 N ATOM 0 H ARG A 96 0.022 -5.495 3.062 1.00 0.00 H new ATOM 0 HA ARG A 96 1.623 -7.674 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.395 -6.166 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.991 -7.812 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.683 -7.144 2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.193 -5.486 3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.985 -7.211 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.237 -6.543 4.419 1.00 0.00 H new ATOM 0 HE ARG A 96 3.768 -4.312 4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.970 -6.902 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.121 -5.855 8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.966 -2.973 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.555 -3.640 8.288 1.00 0.00 H new ATOM 1527 N PHE A 97 0.484 -9.699 2.923 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.317 -10.872 3.255 1.00 0.00 C ATOM 1529 C PHE A 97 0.387 -11.733 4.300 1.00 0.00 C ATOM 1530 O PHE A 97 1.509 -12.193 4.089 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.592 -11.700 1.997 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.625 -11.090 1.093 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.423 -9.839 0.533 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.797 -11.769 0.802 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.371 -9.275 -0.300 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.749 -11.211 -0.030 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.536 -9.962 -0.581 1.00 0.00 C ATOM 0 H PHE A 97 1.377 -9.910 2.477 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.264 -10.529 3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.338 -11.823 1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.921 -12.696 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.514 -9.298 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.969 -12.746 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.201 -8.299 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.658 -11.751 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.279 -9.523 -1.230 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.281 -11.947 5.428 1.00 0.00 N ATOM 1548 CA LYS A 98 0.277 -12.753 6.508 1.00 0.00 C ATOM 1549 C LYS A 98 -0.510 -14.048 6.683 1.00 0.00 C ATOM 1550 O LYS A 98 -1.712 -14.024 6.945 1.00 0.00 O ATOM 1551 CB LYS A 98 0.274 -11.960 7.817 1.00 0.00 C ATOM 1552 CG LYS A 98 1.064 -12.624 8.931 1.00 0.00 C ATOM 1553 CD LYS A 98 0.185 -13.534 9.773 1.00 0.00 C ATOM 1554 CE LYS A 98 0.650 -13.574 11.221 1.00 0.00 C ATOM 1555 NZ LYS A 98 -0.040 -12.550 12.054 1.00 0.00 N ATOM 0 H LYS A 98 -1.211 -11.573 5.619 1.00 0.00 H new ATOM 0 HA LYS A 98 1.304 -13.006 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.686 -10.968 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.756 -11.821 8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.883 -13.202 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.512 -11.860 9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.847 -13.186 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.199 -14.542 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.463 -14.565 11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.727 -13.409 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.304 -12.610 13.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.159 -11.602 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.066 -12.722 12.037 1.00 0.00 H new ATOM 1569 N ARG A 99 0.177 -15.176 6.538 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.458 -16.481 6.680 1.00 0.00 C ATOM 1571 C ARG A 99 -0.779 -16.772 8.143 1.00 0.00 C ATOM 1572 O ARG A 99 0.095 -16.698 9.008 1.00 0.00 O ATOM 1573 CB ARG A 99 0.449 -17.577 6.118 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.214 -18.943 6.056 1.00 0.00 C ATOM 1575 CD ARG A 99 0.373 -19.797 4.943 1.00 0.00 C ATOM 1576 NE ARG A 99 1.591 -20.484 5.364 1.00 0.00 N ATOM 1577 CZ ARG A 99 1.596 -21.580 6.114 1.00 0.00 C ATOM 1578 NH1 ARG A 99 0.452 -22.113 6.522 1.00 0.00 N ATOM 1579 NH2 ARG A 99 2.746 -22.147 6.455 1.00 0.00 N ATOM 0 H ARG A 99 1.173 -15.213 6.322 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.391 -16.467 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.770 -17.293 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.346 -17.645 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.090 -19.453 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.285 -18.822 5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.365 -20.532 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.592 -19.168 4.080 1.00 0.00 H new ATOM 0 HE ARG A 99 2.488 -20.101 5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.434 -21.681 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.458 -22.955 7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.628 -21.741 6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.749 -22.989 7.031 1.00 0.00 H new ATOM 1593 N ILE A 100 -2.038 -17.102 8.413 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.474 -17.405 9.770 1.00 0.00 C ATOM 1595 C ILE A 100 -2.536 -18.910 10.005 1.00 0.00 C ATOM 1596 O ILE A 100 -1.985 -19.420 10.981 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.855 -16.793 10.067 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.743 -15.275 10.221 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.451 -17.415 11.321 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.020 -14.846 11.478 1.00 0.00 C ATOM 0 H ILE A 100 -2.774 -17.166 7.709 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.738 -16.965 10.443 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.518 -17.006 9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.221 -14.868 9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.744 -14.843 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.427 -16.972 11.518 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.562 -18.490 11.176 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.791 -17.229 12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.978 -13.758 11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.553 -15.223 12.351 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.007 -15.248 11.470 1.00 0.00 H new ATOM 1612 N SER A 101 -3.208 -19.617 9.103 1.00 0.00 N ATOM 1613 CA SER A 101 -3.344 -21.065 9.212 1.00 0.00 C ATOM 1614 C SER A 101 -4.012 -21.644 7.969 1.00 0.00 C ATOM 1615 O SER A 101 -4.769 -20.959 7.282 1.00 0.00 O ATOM 1616 CB SER A 101 -4.155 -21.430 10.457 1.00 0.00 C ATOM 1617 OG SER A 101 -3.353 -21.371 11.624 1.00 0.00 O ATOM 0 H SER A 101 -3.667 -19.211 8.288 1.00 0.00 H new ATOM 0 HA SER A 101 -2.345 -21.493 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.999 -20.748 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.567 -22.433 10.345 1.00 0.00 H new ATOM 0 HG SER A 101 -2.502 -20.934 11.414 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.726 -22.911 7.686 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.306 -23.561 6.525 1.00 0.00 C ATOM 1625 C GLY A 102 -3.268 -24.270 5.679 1.00 0.00 C ATOM 1626 O GLY A 102 -2.520 -25.113 6.175 1.00 0.00 O ATOM 0 H GLY A 102 -3.103 -23.499 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.057 -24.280 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.821 -22.818 5.916 1.00 0.00 H new ATOM 1630 N THR A 103 -3.221 -23.931 4.394 1.00 0.00 N ATOM 1631 CA THR A 103 -2.269 -24.543 3.476 1.00 0.00 C ATOM 1632 C THR A 103 -1.598 -23.492 2.599 1.00 0.00 C ATOM 1633 O THR A 103 -2.242 -22.548 2.141 1.00 0.00 O ATOM 1634 CB THR A 103 -2.952 -25.588 2.573 1.00 0.00 C ATOM 1635 OG1 THR A 103 -4.086 -25.005 1.921 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.393 -26.797 3.383 1.00 0.00 C ATOM 0 H THR A 103 -3.832 -23.235 3.966 1.00 0.00 H new ATOM 0 HA THR A 103 -1.514 -25.039 4.087 1.00 0.00 H new ATOM 0 HB THR A 103 -2.231 -25.916 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.514 -25.675 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.872 -27.521 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.524 -27.255 3.855 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.099 -26.482 4.151 1.00 0.00 H new ATOM 1644 N SER A 104 -0.300 -23.661 2.368 1.00 0.00 N ATOM 1645 CA SER A 104 0.460 -22.725 1.548 1.00 0.00 C ATOM 1646 C SER A 104 -0.122 -22.640 0.140 1.00 0.00 C ATOM 1647 O SER A 104 -0.413 -21.553 -0.358 1.00 0.00 O ATOM 1648 CB SER A 104 1.928 -23.148 1.481 1.00 0.00 C ATOM 1649 OG SER A 104 2.061 -24.552 1.620 1.00 0.00 O ATOM 0 H SER A 104 0.248 -24.438 2.738 1.00 0.00 H new ATOM 0 HA SER A 104 0.395 -21.740 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.358 -22.831 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.491 -22.647 2.269 1.00 0.00 H new ATOM 0 HG SER A 104 3.009 -24.797 1.572 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.287 -23.796 -0.495 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.834 -23.853 -1.845 1.00 0.00 C ATOM 1657 C ILE A 105 -2.072 -22.972 -1.974 1.00 0.00 C ATOM 1658 O ILE A 105 -2.094 -22.026 -2.761 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.201 -25.295 -2.243 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.064 -26.100 -2.547 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.134 -25.292 -3.444 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.960 -25.452 -3.579 1.00 0.00 C ATOM 0 H ILE A 105 -0.050 -24.705 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.058 -23.486 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.718 -25.767 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.627 -26.238 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.222 -27.092 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.384 -26.318 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.046 -24.750 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.641 -24.806 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.837 -26.078 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.414 -25.339 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.276 -24.472 -3.222 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.101 -23.288 -1.194 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.341 -22.523 -1.219 1.00 0.00 C ATOM 1676 C ALA A 106 -4.095 -21.066 -0.839 1.00 0.00 C ATOM 1677 O ALA A 106 -4.762 -20.162 -1.344 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.365 -23.148 -0.283 1.00 0.00 C ATOM 0 H ALA A 106 -3.100 -24.068 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.732 -22.545 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.287 -22.567 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.571 -24.170 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.972 -23.155 0.734 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.135 -20.846 0.052 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.802 -19.499 0.501 1.00 0.00 C ATOM 1686 C PHE A 107 -2.354 -18.631 -0.672 1.00 0.00 C ATOM 1687 O PHE A 107 -2.757 -17.474 -0.792 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.702 -19.549 1.563 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.312 -18.196 2.086 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -2.099 -17.548 3.024 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.158 -17.572 1.638 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.742 -16.303 3.508 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.203 -16.328 2.118 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.590 -15.692 3.053 1.00 0.00 C ATOM 0 H PHE A 107 -2.573 -21.583 0.478 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.697 -19.056 0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.039 -20.168 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.822 -20.034 1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.002 -18.021 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.465 -18.064 0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.363 -15.809 4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.105 -15.853 1.762 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.310 -14.719 3.428 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.517 -19.198 -1.534 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.013 -18.478 -2.698 1.00 0.00 C ATOM 1706 C LYS A 108 -2.034 -18.493 -3.830 1.00 0.00 C ATOM 1707 O LYS A 108 -2.327 -17.459 -4.428 1.00 0.00 O ATOM 1708 CB LYS A 108 0.303 -19.097 -3.175 1.00 0.00 C ATOM 1709 CG LYS A 108 1.487 -18.774 -2.280 1.00 0.00 C ATOM 1710 CD LYS A 108 2.751 -19.472 -2.753 1.00 0.00 C ATOM 1711 CE LYS A 108 3.688 -19.774 -1.593 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.639 -18.656 -1.343 1.00 0.00 N ATOM 0 H LYS A 108 -1.173 -20.154 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.836 -17.443 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.186 -20.179 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.515 -18.746 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.649 -17.696 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.264 -19.077 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.487 -20.400 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.263 -18.844 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.103 -19.961 -0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.247 -20.686 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.260 -18.900 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.215 -18.494 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.107 -17.792 -1.115 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.574 -19.673 -4.119 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.563 -19.822 -5.180 1.00 0.00 C ATOM 1728 C ASN A 109 -4.669 -18.779 -5.043 1.00 0.00 C ATOM 1729 O ASN A 109 -5.084 -18.167 -6.027 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.166 -21.227 -5.151 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.351 -22.223 -5.953 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.469 -22.297 -7.176 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -2.518 -22.996 -5.266 1.00 0.00 N ATOM 0 H ASN A 109 -2.343 -20.540 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.060 -19.670 -6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.237 -21.568 -4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.182 -21.192 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.944 -23.685 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.452 -22.901 -4.253 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.140 -18.583 -3.816 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.196 -17.613 -3.550 1.00 0.00 C ATOM 1742 C ILE A 110 -5.646 -16.191 -3.538 1.00 0.00 C ATOM 1743 O ILE A 110 -6.315 -15.253 -3.970 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.892 -17.894 -2.205 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.072 -16.940 -2.008 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.900 -17.762 -1.058 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.299 -17.324 -2.806 1.00 0.00 C ATOM 0 H ILE A 110 -4.808 -19.082 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.925 -17.711 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.272 -18.915 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.332 -16.910 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.766 -15.933 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.406 -17.963 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.089 -18.477 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.493 -16.751 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.095 -16.604 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.056 -17.326 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.631 -18.318 -2.507 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.422 -16.040 -3.043 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.780 -14.733 -2.979 1.00 0.00 C ATOM 1761 C ALA A 111 -3.657 -14.113 -4.366 1.00 0.00 C ATOM 1762 O ALA A 111 -3.559 -12.893 -4.505 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.410 -14.849 -2.327 1.00 0.00 C ATOM 0 H ALA A 111 -3.855 -16.807 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.405 -14.078 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.942 -13.865 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.520 -15.241 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.785 -15.524 -2.912 1.00 0.00 H new ATOM 1769 N SER A 112 -3.663 -14.960 -5.391 1.00 0.00 N ATOM 1770 CA SER A 112 -3.547 -14.494 -6.768 1.00 0.00 C ATOM 1771 C SER A 112 -4.834 -13.810 -7.220 1.00 0.00 C ATOM 1772 O SER A 112 -4.803 -12.730 -7.809 1.00 0.00 O ATOM 1773 CB SER A 112 -3.224 -15.665 -7.698 1.00 0.00 C ATOM 1774 OG SER A 112 -3.487 -15.329 -9.050 1.00 0.00 O ATOM 0 H SER A 112 -3.747 -15.972 -5.294 1.00 0.00 H new ATOM 0 HA SER A 112 -2.735 -13.768 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.176 -15.944 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.817 -16.534 -7.414 1.00 0.00 H new ATOM 0 HG SER A 112 -3.271 -16.093 -9.625 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.965 -14.448 -6.939 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.264 -13.903 -7.314 1.00 0.00 C ATOM 1782 C LYS A 113 -7.453 -12.502 -6.742 1.00 0.00 C ATOM 1783 O LYS A 113 -7.634 -11.537 -7.485 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.387 -14.821 -6.824 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.366 -16.200 -7.460 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.200 -17.192 -6.667 1.00 0.00 C ATOM 1787 CE LYS A 113 -9.698 -18.329 -7.546 1.00 0.00 C ATOM 1788 NZ LYS A 113 -8.584 -19.199 -8.013 1.00 0.00 N ATOM 0 H LYS A 113 -6.008 -15.344 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.302 -13.840 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.311 -14.928 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.347 -14.349 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.746 -16.137 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.338 -16.557 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.605 -17.597 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.050 -16.678 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.418 -18.929 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.223 -17.918 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.965 -19.961 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.909 -18.632 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.098 -19.612 -7.191 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.407 -12.398 -5.418 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.570 -11.114 -4.747 1.00 0.00 C ATOM 1804 C ILE A 114 -6.789 -10.017 -5.463 1.00 0.00 C ATOM 1805 O ILE A 114 -7.340 -8.971 -5.805 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.109 -11.183 -3.280 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.891 -12.261 -2.527 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.280 -9.829 -2.606 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.366 -11.955 -2.394 1.00 0.00 C ATOM 0 H ILE A 114 -7.258 -13.187 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.633 -10.876 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.051 -11.446 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.771 -13.213 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.462 -12.382 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.950 -9.894 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.683 -9.083 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.330 -9.538 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.857 -12.762 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.496 -11.019 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.809 -11.864 -3.386 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.502 -10.264 -5.687 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.646 -9.299 -6.366 1.00 0.00 C ATOM 1823 C ALA A 115 -5.224 -8.911 -7.722 1.00 0.00 C ATOM 1824 O ALA A 115 -5.516 -7.742 -7.971 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.242 -9.863 -6.530 1.00 0.00 C ATOM 0 H ALA A 115 -5.030 -11.124 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.595 -8.400 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.613 -9.132 -7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.821 -10.083 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.284 -10.778 -7.120 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.386 -9.899 -8.596 1.00 0.00 N ATOM 1832 CA ASN A 116 -5.928 -9.660 -9.929 1.00 0.00 C ATOM 1833 C ASN A 116 -7.205 -8.828 -9.855 1.00 0.00 C ATOM 1834 O ASN A 116 -7.310 -7.777 -10.487 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.211 -10.988 -10.633 1.00 0.00 C ATOM 1836 CG ASN A 116 -4.978 -11.559 -11.306 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.724 -11.303 -12.483 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.205 -12.340 -10.560 1.00 0.00 N ATOM 0 H ASN A 116 -5.150 -10.873 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.186 -9.104 -10.502 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.592 -11.707 -9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.993 -10.842 -11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.363 -12.754 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -4.454 -12.525 -9.588 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.173 -9.307 -9.079 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.443 -8.607 -8.923 1.00 0.00 C ATOM 1847 C GLU A 117 -9.220 -7.176 -8.442 1.00 0.00 C ATOM 1848 O GLU A 117 -9.825 -6.235 -8.957 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.344 -9.354 -7.938 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.568 -10.812 -8.302 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.921 -11.325 -7.848 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.607 -10.605 -7.093 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -12.293 -12.448 -8.249 1.00 0.00 O ATOM 0 H GLU A 117 -8.102 -10.176 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.932 -8.572 -9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.903 -9.301 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.309 -8.849 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.482 -10.930 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.783 -11.420 -7.852 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.348 -7.020 -7.452 1.00 0.00 N ATOM 1861 CA LEU A 118 -8.045 -5.704 -6.900 1.00 0.00 C ATOM 1862 C LEU A 118 -7.165 -4.903 -7.853 1.00 0.00 C ATOM 1863 O LEU A 118 -6.790 -3.767 -7.564 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.351 -5.846 -5.544 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.271 -5.986 -4.331 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.554 -6.706 -3.198 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.761 -4.621 -3.872 1.00 0.00 C ATOM 0 H LEU A 118 -7.838 -7.788 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.985 -5.168 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.698 -6.718 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.712 -4.976 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.137 -6.581 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.224 -6.797 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.254 -7.700 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.670 -6.138 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.414 -4.741 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.907 -4.001 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.313 -4.142 -4.681 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.839 -5.502 -8.994 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.005 -4.845 -9.993 1.00 0.00 C ATOM 1881 C LYS A 119 -4.631 -4.512 -9.422 1.00 0.00 C ATOM 1882 O LYS A 119 -4.010 -3.520 -9.807 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.684 -3.567 -10.493 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.883 -3.826 -11.389 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.463 -4.414 -12.726 1.00 0.00 C ATOM 1886 CE LYS A 119 -8.660 -4.628 -13.641 1.00 0.00 C ATOM 1887 NZ LYS A 119 -9.282 -3.339 -14.051 1.00 0.00 N ATOM 0 H LYS A 119 -7.140 -6.442 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.875 -5.532 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.003 -2.976 -9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.955 -2.968 -11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.571 -4.509 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.423 -2.894 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.748 -3.748 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.954 -5.364 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.345 -5.178 -14.528 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.401 -5.243 -13.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.956 -3.509 -14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.783 -2.922 -13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.542 -2.684 -14.375 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.160 -5.347 -8.502 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.857 -5.142 -7.879 1.00 0.00 C ATOM 1903 C LEU A 120 -1.743 -5.725 -8.742 1.00 0.00 C ATOM 1904 O LEU A 120 -2.001 -6.317 -9.790 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.829 -5.782 -6.489 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.900 -5.303 -5.508 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -4.013 -6.261 -4.333 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.587 -3.895 -5.023 1.00 0.00 C ATOM 0 H LEU A 120 -4.661 -6.172 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.692 -4.069 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.928 -6.861 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.850 -5.598 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.858 -5.282 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.780 -5.904 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.284 -7.252 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.056 -6.314 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.359 -3.570 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.620 -3.890 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.558 -3.215 -5.874 1.00 0.00 H new ATOM 1920 N SER A 121 -0.503 -5.556 -8.293 1.00 0.00 N ATOM 1921 CA SER A 121 0.651 -6.063 -9.025 1.00 0.00 C ATOM 1922 C SER A 121 0.373 -7.458 -9.578 1.00 0.00 C ATOM 1923 O SER A 121 0.444 -7.685 -10.785 1.00 0.00 O ATOM 1924 CB SER A 121 1.882 -6.098 -8.117 1.00 0.00 C ATOM 1925 OG SER A 121 3.053 -6.399 -8.857 1.00 0.00 O ATOM 0 H SER A 121 -0.272 -5.072 -7.425 1.00 0.00 H new ATOM 0 HA SER A 121 0.844 -5.391 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.999 -5.135 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.740 -6.844 -7.335 1.00 0.00 H new ATOM 0 HG SER A 121 3.826 -6.414 -8.255 1.00 0.00 H new ATOM 1931 N GLY A 122 0.057 -8.390 -8.684 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.226 -9.751 -9.100 1.00 0.00 C ATOM 1933 C GLY A 122 1.017 -10.491 -9.551 1.00 0.00 C ATOM 1934 O GLY A 122 1.141 -10.893 -10.708 1.00 0.00 O ATOM 0 H GLY A 122 -0.008 -8.227 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.687 -10.292 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.951 -9.735 -9.914 1.00 0.00 H new ATOM 1938 N PRO A 123 1.968 -10.678 -8.624 1.00 0.00 N ATOM 1939 CA PRO A 123 3.227 -11.374 -8.910 1.00 0.00 C ATOM 1940 C PRO A 123 3.023 -12.867 -9.144 1.00 0.00 C ATOM 1941 O PRO A 123 2.535 -13.581 -8.268 1.00 0.00 O ATOM 1942 CB PRO A 123 4.057 -11.139 -7.646 1.00 0.00 C ATOM 1943 CG PRO A 123 3.052 -10.915 -6.569 1.00 0.00 C ATOM 1944 CD PRO A 123 1.888 -10.225 -7.225 1.00 0.00 C ATOM 0 HA PRO A 123 3.699 -11.006 -9.821 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.691 -11.997 -7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.715 -10.277 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.744 -11.859 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.468 -10.303 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.941 -10.508 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.968 -9.141 -7.148 1.00 0.00 H new