USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 850 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 81 GLN : amide:sc= 0.383 K(o=0.59,f=2.4) USER MOD Set 1.2: A 122 TYR OH : rot -138:sc= 0.867 USER MOD Set 1.3: A 127 SER OG : rot 62:sc= -0.663 USER MOD Set 2.1: A 115 THR OG1 : rot 117:sc= 1.6 USER MOD Set 2.2: A 139 CYS SG : rot 73:sc= 0.355 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 93 CYS SG : rot -113:sc= 0.69 USER MOD Set 4.2: A 97 GLN : amide:sc= -3.32! K(o=-2.6!,f=0.47) USER MOD Set 5.1: A 76 ASN : amide:sc= -0.645 K(o=-0.1,f=-12!) USER MOD Set 5.2: A 78 THR OG1 : rot 81:sc= 0.541 USER MOD Set 6.1: A 69 HIS : no HE2:sc= -8.66! C(o=-17!,f=-15!) USER MOD Set 6.2: A 71 GLN : amide:sc= -8.79! C(o=-17!,f=-12!) USER MOD Set 7.1: A 67 THR OG1 : rot -177:sc= -1.2 USER MOD Set 7.2: A 146 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 42 ASN : amide:sc= -6.98! C(o=-7!,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 141:sc= -2.69 (180deg=-5.01!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 52:sc= 0.0549 USER MOD Single : A 57 SER OG : rot 133:sc= 1.13 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.877) USER MOD Single : A 64 GLN : amide:sc= -6.13! K(o=-6.1!,f=-1) USER MOD Single : A 72 THR OG1 : rot -150:sc= -0.916 USER MOD Single : A 73 SER OG : rot 180:sc= -0.281 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -130:sc= -0.111 USER MOD Single : A 106 MET CE :methyl 137:sc= -3.77! (180deg=-5.45!) USER MOD Single : A 113 MET CE :methyl 175:sc= 0 (180deg=-0.0249) USER MOD Single : A 118 SER OG : rot 177:sc= -0.265 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= -2.03! USER MOD Single : A 121 CYS SG : rot 121:sc= -2.23! USER MOD Single : A 125 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 145 LYS NZ :NH3+ 176:sc= 2.42 (180deg=2.39) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.388 2.308 2.306 1.00 0.53 N ATOM 490 CA TRP A 36 -6.366 3.338 2.388 1.00 0.45 C ATOM 491 C TRP A 36 -6.107 3.893 0.997 1.00 0.46 C ATOM 492 O TRP A 36 -6.891 3.661 0.077 1.00 0.52 O ATOM 493 CB TRP A 36 -5.058 2.777 2.937 1.00 0.38 C ATOM 494 CG TRP A 36 -5.219 1.707 3.965 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.068 1.691 5.035 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.466 0.501 4.029 1.00 0.27 C ATOM 497 NE1 TRP A 36 -5.895 0.530 5.750 1.00 0.36 N ATOM 498 CE2 TRP A 36 -4.913 -0.218 5.150 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.461 -0.045 3.233 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.370 -1.451 5.498 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.934 -1.258 3.577 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.388 -1.953 4.694 1.00 0.19 C ATOM 0 HA TRP A 36 -6.722 4.119 3.060 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.473 2.380 2.108 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -4.482 3.594 3.371 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -6.770 2.474 5.282 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.412 0.267 6.589 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.105 0.481 2.360 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.712 -1.989 6.370 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.150 -1.686 2.970 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.953 -2.913 4.930 1.00 0.19 H new ATOM 513 N LEU A 37 -4.990 4.584 0.838 1.00 0.43 N ATOM 514 CA LEU A 37 -4.633 5.157 -0.447 1.00 0.42 C ATOM 515 C LEU A 37 -4.178 4.071 -1.412 1.00 0.37 C ATOM 516 O LEU A 37 -3.117 3.466 -1.231 1.00 0.35 O ATOM 517 CB LEU A 37 -3.521 6.192 -0.274 1.00 0.45 C ATOM 518 CG LEU A 37 -3.154 6.985 -1.535 1.00 0.46 C ATOM 519 CD1 LEU A 37 -4.333 7.809 -2.011 1.00 0.49 C ATOM 520 CD2 LEU A 37 -1.958 7.883 -1.267 1.00 0.50 C ATOM 0 H LEU A 37 -4.316 4.761 1.583 1.00 0.43 H new ATOM 0 HA LEU A 37 -5.516 5.645 -0.860 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -3.821 6.896 0.502 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -2.627 5.683 0.086 1.00 0.45 H new ATOM 0 HG LEU A 37 -2.890 6.276 -2.320 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.052 8.364 -2.906 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.169 7.149 -2.241 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.628 8.508 -1.229 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -1.710 8.439 -2.171 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -2.200 8.582 -0.466 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -1.104 7.273 -0.971 1.00 0.50 H new ATOM 532 N ASP A 38 -5.002 3.814 -2.415 1.00 0.38 N ATOM 533 CA ASP A 38 -4.654 2.919 -3.507 1.00 0.41 C ATOM 534 C ASP A 38 -3.491 3.468 -4.332 1.00 0.39 C ATOM 535 O ASP A 38 -3.677 4.297 -5.219 1.00 0.44 O ATOM 536 CB ASP A 38 -5.881 2.654 -4.394 1.00 0.56 C ATOM 537 CG ASP A 38 -6.702 3.904 -4.664 1.00 1.78 C ATOM 538 OD1 ASP A 38 -7.430 4.350 -3.752 1.00 2.51 O ATOM 539 OD2 ASP A 38 -6.620 4.443 -5.783 1.00 2.14 O ATOM 0 H ASP A 38 -5.934 4.221 -2.495 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.328 1.973 -3.075 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -5.551 2.231 -5.343 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.514 1.907 -3.915 1.00 0.56 H new ATOM 544 N ILE A 39 -2.289 2.988 -4.009 1.00 0.38 N ATOM 545 CA ILE A 39 -1.068 3.340 -4.733 1.00 0.38 C ATOM 546 C ILE A 39 -1.254 3.118 -6.221 1.00 0.39 C ATOM 547 O ILE A 39 -1.036 4.006 -7.042 1.00 0.46 O ATOM 548 CB ILE A 39 0.123 2.461 -4.293 1.00 0.39 C ATOM 549 CG1 ILE A 39 0.276 2.461 -2.772 1.00 0.40 C ATOM 550 CG2 ILE A 39 1.409 2.930 -4.971 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.531 1.761 -2.298 1.00 0.43 C ATOM 0 H ILE A 39 -2.135 2.342 -3.235 1.00 0.38 H new ATOM 0 HA ILE A 39 -0.864 4.388 -4.512 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.077 1.436 -4.604 1.00 0.39 H new ATOM 0 HG12 ILE A 39 0.285 3.491 -2.414 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.593 1.977 -2.326 1.00 0.40 H new ATOM 0 HG21 ILE A 39 2.239 2.301 -4.651 1.00 0.41 H new ATOM 0 HG22 ILE A 39 1.296 2.860 -6.053 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.610 3.965 -4.694 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.579 1.797 -1.210 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.514 0.722 -2.626 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.406 2.259 -2.716 1.00 0.43 H new ATOM 563 N LEU A 40 -1.681 1.908 -6.538 1.00 0.39 N ATOM 564 CA LEU A 40 -1.845 1.463 -7.907 1.00 0.49 C ATOM 565 C LEU A 40 -3.137 2.015 -8.486 1.00 0.49 C ATOM 566 O LEU A 40 -3.337 2.034 -9.700 1.00 0.62 O ATOM 567 CB LEU A 40 -1.879 -0.068 -7.911 1.00 0.56 C ATOM 568 CG LEU A 40 -0.982 -0.775 -8.925 1.00 0.59 C ATOM 569 CD1 LEU A 40 -1.518 -0.602 -10.336 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.440 -0.259 -8.836 1.00 0.72 C ATOM 0 H LEU A 40 -1.925 1.202 -5.844 1.00 0.39 H new ATOM 0 HA LEU A 40 -1.017 1.822 -8.519 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -1.606 -0.416 -6.915 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.907 -0.384 -8.088 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.980 -1.838 -8.686 1.00 0.59 H new ATOM 0 HD11 LEU A 40 -0.862 -1.114 -11.040 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -2.520 -1.026 -10.399 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.557 0.459 -10.583 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.061 -0.776 -9.567 1.00 0.72 H new ATOM 0 HD22 LEU A 40 0.452 0.811 -9.042 1.00 0.72 H new ATOM 0 HD23 LEU A 40 0.831 -0.440 -7.835 1.00 0.72 H new ATOM 582 N GLY A 41 -4.010 2.465 -7.599 1.00 0.43 N ATOM 583 CA GLY A 41 -5.329 2.891 -8.006 1.00 0.51 C ATOM 584 C GLY A 41 -6.203 1.716 -8.387 1.00 0.45 C ATOM 585 O GLY A 41 -7.301 1.891 -8.908 1.00 0.52 O ATOM 0 H GLY A 41 -3.826 2.543 -6.599 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -5.799 3.446 -7.194 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -5.246 3.573 -8.852 1.00 0.51 H new ATOM 589 N ASN A 42 -5.707 0.508 -8.131 1.00 0.39 N ATOM 590 CA ASN A 42 -6.437 -0.701 -8.491 1.00 0.42 C ATOM 591 C ASN A 42 -7.030 -1.380 -7.266 1.00 0.43 C ATOM 592 O ASN A 42 -7.804 -2.321 -7.389 1.00 0.56 O ATOM 593 CB ASN A 42 -5.541 -1.674 -9.272 1.00 0.49 C ATOM 594 CG ASN A 42 -4.633 -2.561 -8.418 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.379 -3.707 -8.775 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.107 -2.058 -7.303 1.00 0.44 N ATOM 0 H ASN A 42 -4.808 0.342 -7.678 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.262 -0.403 -9.138 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.176 -2.315 -9.883 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -4.918 -1.098 -9.956 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.483 -2.627 -6.732 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.328 -1.103 -7.020 1.00 0.44 H new ATOM 603 N GLY A 43 -6.655 -0.910 -6.085 1.00 0.40 N ATOM 604 CA GLY A 43 -7.215 -1.458 -4.869 1.00 0.50 C ATOM 605 C GLY A 43 -6.407 -2.615 -4.305 1.00 0.45 C ATOM 606 O GLY A 43 -6.474 -2.891 -3.109 1.00 0.72 O ATOM 0 H GLY A 43 -5.975 -0.162 -5.948 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -7.280 -0.669 -4.119 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.233 -1.796 -5.065 1.00 0.50 H new ATOM 610 N LEU A 44 -5.618 -3.273 -5.152 1.00 0.29 N ATOM 611 CA LEU A 44 -4.814 -4.410 -4.714 1.00 0.36 C ATOM 612 C LEU A 44 -3.566 -3.902 -4.024 1.00 0.25 C ATOM 613 O LEU A 44 -2.929 -4.606 -3.252 1.00 0.27 O ATOM 614 CB LEU A 44 -4.416 -5.302 -5.900 1.00 0.60 C ATOM 615 CG LEU A 44 -5.489 -6.268 -6.422 1.00 0.51 C ATOM 616 CD1 LEU A 44 -5.913 -7.234 -5.330 1.00 1.46 C ATOM 617 CD2 LEU A 44 -6.693 -5.517 -6.965 1.00 1.56 C ATOM 0 H LEU A 44 -5.519 -3.040 -6.140 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.410 -5.008 -4.024 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.108 -4.657 -6.723 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.543 -5.887 -5.609 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.053 -6.838 -7.243 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -6.674 -7.911 -5.718 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -5.049 -7.811 -4.999 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.321 -6.675 -4.488 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -7.434 -6.230 -7.327 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -7.130 -4.909 -6.173 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -6.380 -4.872 -7.786 1.00 1.56 H new ATOM 629 N LEU A 45 -3.219 -2.671 -4.352 1.00 0.23 N ATOM 630 CA LEU A 45 -2.057 -2.006 -3.788 1.00 0.22 C ATOM 631 C LEU A 45 -2.467 -0.731 -3.060 1.00 0.22 C ATOM 632 O LEU A 45 -2.895 0.232 -3.699 1.00 0.32 O ATOM 633 CB LEU A 45 -1.071 -1.678 -4.900 1.00 0.30 C ATOM 634 CG LEU A 45 0.232 -1.053 -4.440 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.849 -1.894 -3.355 1.00 0.28 C ATOM 636 CD2 LEU A 45 1.182 -0.931 -5.603 1.00 0.31 C ATOM 0 H LEU A 45 -3.737 -2.101 -5.020 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.584 -2.673 -3.068 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.844 -2.594 -5.445 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.553 -0.999 -5.604 1.00 0.30 H new ATOM 0 HG LEU A 45 0.029 -0.058 -4.044 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.784 -1.439 -3.030 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.163 -1.958 -2.510 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.047 -2.895 -3.739 1.00 0.28 H new ATOM 0 HD21 LEU A 45 2.115 -0.481 -5.265 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.384 -1.920 -6.013 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.735 -0.303 -6.374 1.00 0.31 H new ATOM 648 N ARG A 46 -2.359 -0.736 -1.734 1.00 0.20 N ATOM 649 CA ARG A 46 -2.773 0.404 -0.915 1.00 0.22 C ATOM 650 C ARG A 46 -1.846 0.600 0.283 1.00 0.19 C ATOM 651 O ARG A 46 -1.452 -0.369 0.919 1.00 0.19 O ATOM 652 CB ARG A 46 -4.197 0.178 -0.429 1.00 0.25 C ATOM 653 CG ARG A 46 -5.230 0.231 -1.530 1.00 0.36 C ATOM 654 CD ARG A 46 -6.587 -0.209 -1.026 1.00 0.37 C ATOM 655 NE ARG A 46 -6.531 -1.584 -0.526 1.00 0.54 N ATOM 656 CZ ARG A 46 -6.799 -1.934 0.732 1.00 0.75 C ATOM 657 NH1 ARG A 46 -7.242 -1.032 1.595 1.00 1.14 N ATOM 658 NH2 ARG A 46 -6.639 -3.193 1.117 1.00 0.99 N ATOM 0 H ARG A 46 -1.986 -1.521 -1.200 1.00 0.20 H new ATOM 0 HA ARG A 46 -2.721 1.304 -1.528 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.254 -0.793 0.064 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.439 0.931 0.321 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.296 1.246 -1.922 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.920 -0.410 -2.355 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -6.920 0.459 -0.232 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.320 -0.138 -1.830 1.00 0.37 H new ATOM 0 HE ARG A 46 -6.270 -2.321 -1.182 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -7.379 -0.066 1.298 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -7.446 -1.303 2.557 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.311 -3.892 0.451 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -6.844 -3.462 2.079 1.00 0.99 H new ATOM 672 N LYS A 47 -1.539 1.854 0.609 1.00 0.20 N ATOM 673 CA LYS A 47 -0.631 2.173 1.716 1.00 0.17 C ATOM 674 C LYS A 47 -1.367 2.958 2.806 1.00 0.18 C ATOM 675 O LYS A 47 -2.004 3.972 2.517 1.00 0.22 O ATOM 676 CB LYS A 47 0.555 3.017 1.216 1.00 0.23 C ATOM 677 CG LYS A 47 1.697 3.131 2.225 1.00 0.25 C ATOM 678 CD LYS A 47 2.565 4.369 2.016 1.00 0.32 C ATOM 679 CE LYS A 47 1.822 5.658 2.313 1.00 0.20 C ATOM 680 NZ LYS A 47 1.946 6.061 3.734 1.00 0.35 N ATOM 0 H LYS A 47 -1.906 2.671 0.121 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.264 1.232 2.126 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.939 2.579 0.295 1.00 0.23 H new ATOM 0 HB3 LYS A 47 0.199 4.017 0.969 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.282 3.153 3.233 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.323 2.241 2.157 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.444 4.304 2.657 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.922 4.389 0.986 1.00 0.32 H new ATOM 0 HE2 LYS A 47 2.209 6.454 1.676 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.768 5.534 2.063 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 2.053 7.094 3.794 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 1.093 5.771 4.253 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.779 5.601 4.154 1.00 0.35 H new ATOM 694 N LYS A 48 -1.279 2.495 4.048 1.00 0.16 N ATOM 695 CA LYS A 48 -1.872 3.219 5.172 1.00 0.18 C ATOM 696 C LYS A 48 -0.809 3.942 5.973 1.00 0.17 C ATOM 697 O LYS A 48 0.199 3.350 6.363 1.00 0.22 O ATOM 698 CB LYS A 48 -2.641 2.283 6.109 1.00 0.25 C ATOM 699 CG LYS A 48 -3.124 2.974 7.378 1.00 0.32 C ATOM 700 CD LYS A 48 -4.200 2.179 8.099 1.00 0.69 C ATOM 701 CE LYS A 48 -3.706 0.817 8.558 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.763 0.076 9.296 1.00 1.07 N ATOM 0 H LYS A 48 -0.807 1.628 4.304 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.567 3.941 4.744 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.499 1.871 5.578 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.001 1.444 6.380 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.279 3.127 8.049 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -3.513 3.960 7.125 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -4.549 2.745 8.962 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.056 2.048 7.437 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -3.387 0.234 7.694 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -2.833 0.942 9.198 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -4.394 -0.849 9.595 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -5.049 0.622 10.134 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.586 -0.064 8.676 1.00 1.07 H new ATOM 716 N THR A 49 -1.048 5.213 6.230 1.00 0.18 N ATOM 717 CA THR A 49 -0.191 5.987 7.102 1.00 0.20 C ATOM 718 C THR A 49 -0.530 5.709 8.564 1.00 0.21 C ATOM 719 O THR A 49 -1.462 6.302 9.112 1.00 0.29 O ATOM 720 CB THR A 49 -0.343 7.498 6.827 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.710 7.807 6.516 1.00 0.33 O ATOM 722 CG2 THR A 49 0.546 7.947 5.683 1.00 0.25 C ATOM 0 H THR A 49 -1.835 5.734 5.843 1.00 0.18 H new ATOM 0 HA THR A 49 0.839 5.691 6.902 1.00 0.20 H new ATOM 0 HB THR A 49 -0.039 8.030 7.728 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.294 7.444 7.214 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.413 9.016 5.517 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.588 7.745 5.931 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.276 7.403 4.778 1.00 0.25 H new ATOM 730 N LEU A 50 0.191 4.776 9.181 1.00 0.18 N ATOM 731 CA LEU A 50 0.045 4.543 10.612 1.00 0.21 C ATOM 732 C LEU A 50 0.488 5.808 11.314 1.00 0.23 C ATOM 733 O LEU A 50 -0.224 6.386 12.134 1.00 0.28 O ATOM 734 CB LEU A 50 0.926 3.378 11.055 1.00 0.21 C ATOM 735 CG LEU A 50 0.901 2.161 10.137 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.042 1.228 10.491 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.437 1.452 10.226 1.00 0.24 C ATOM 0 H LEU A 50 0.874 4.176 8.718 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.988 4.295 10.855 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.954 3.731 11.136 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.616 3.067 12.053 1.00 0.21 H new ATOM 0 HG LEU A 50 1.031 2.489 9.106 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.020 0.360 9.832 1.00 0.21 H new ATOM 0 HD12 LEU A 50 2.991 1.751 10.370 1.00 0.21 H new ATOM 0 HD13 LEU A 50 1.937 0.901 11.526 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.435 0.586 9.564 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.607 1.124 11.251 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.232 2.136 9.927 1.00 0.24 H new ATOM 749 N VAL A 51 1.685 6.218 10.946 1.00 0.23 N ATOM 750 CA VAL A 51 2.227 7.515 11.290 1.00 0.27 C ATOM 751 C VAL A 51 2.837 8.067 10.043 1.00 0.24 C ATOM 752 O VAL A 51 3.642 7.387 9.439 1.00 0.23 O ATOM 753 CB VAL A 51 3.343 7.412 12.330 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.911 8.785 12.666 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.839 6.721 13.574 1.00 0.36 C ATOM 0 H VAL A 51 2.320 5.647 10.388 1.00 0.23 H new ATOM 0 HA VAL A 51 1.430 8.135 11.699 1.00 0.27 H new ATOM 0 HB VAL A 51 4.150 6.815 11.904 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.702 8.680 13.408 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.318 9.241 11.764 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.119 9.418 13.067 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.645 6.655 14.305 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.011 7.290 13.996 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.497 5.718 13.320 1.00 0.36 H new ATOM 765 N PRO A 52 2.441 9.254 9.613 1.00 0.29 N ATOM 766 CA PRO A 52 2.999 9.882 8.442 1.00 0.32 C ATOM 767 C PRO A 52 3.947 11.033 8.760 1.00 0.34 C ATOM 768 O PRO A 52 3.527 12.189 8.892 1.00 0.54 O ATOM 769 CB PRO A 52 1.735 10.359 7.764 1.00 0.41 C ATOM 770 CG PRO A 52 0.799 10.714 8.892 1.00 0.46 C ATOM 771 CD PRO A 52 1.342 10.053 10.142 1.00 0.37 C ATOM 0 HA PRO A 52 3.626 9.220 7.845 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.930 11.221 7.126 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.311 9.582 7.128 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.743 11.795 9.021 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.211 10.365 8.679 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.685 10.785 10.873 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.591 9.437 10.636 1.00 0.37 H new ATOM 779 N GLY A 53 5.223 10.690 8.913 1.00 0.24 N ATOM 780 CA GLY A 53 6.262 11.677 9.121 1.00 0.28 C ATOM 781 C GLY A 53 6.081 12.519 10.377 1.00 0.29 C ATOM 782 O GLY A 53 5.083 12.396 11.090 1.00 0.55 O ATOM 0 H GLY A 53 5.557 9.727 8.896 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.225 11.169 9.173 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.297 12.339 8.256 1.00 0.28 H new ATOM 821 N SER A 57 8.215 16.504 7.255 1.00 0.52 N ATOM 822 CA SER A 57 8.940 15.456 6.568 1.00 0.40 C ATOM 823 C SER A 57 9.080 15.752 5.081 1.00 0.34 C ATOM 824 O SER A 57 8.697 16.820 4.604 1.00 0.43 O ATOM 825 CB SER A 57 8.200 14.137 6.761 1.00 0.40 C ATOM 826 OG SER A 57 6.822 14.370 7.008 1.00 0.99 O ATOM 0 HA SER A 57 9.943 15.396 6.989 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.316 13.515 5.873 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.637 13.587 7.595 1.00 0.40 H new ATOM 0 HG SER A 57 6.284 13.771 6.450 1.00 0.99 H new ATOM 832 N SER A 58 9.636 14.791 4.365 1.00 0.28 N ATOM 833 CA SER A 58 9.802 14.888 2.931 1.00 0.30 C ATOM 834 C SER A 58 9.662 13.498 2.326 1.00 0.27 C ATOM 835 O SER A 58 10.116 12.528 2.915 1.00 0.38 O ATOM 836 CB SER A 58 11.178 15.476 2.604 1.00 0.38 C ATOM 837 OG SER A 58 11.318 15.711 1.214 1.00 1.28 O ATOM 0 H SER A 58 9.985 13.920 4.765 1.00 0.28 H new ATOM 0 HA SER A 58 9.040 15.545 2.512 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.316 16.410 3.149 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.958 14.792 2.940 1.00 0.38 H new ATOM 0 HG SER A 58 12.204 16.088 1.034 1.00 1.28 H new ATOM 843 N ARG A 59 9.009 13.389 1.185 1.00 0.32 N ATOM 844 CA ARG A 59 8.880 12.098 0.519 1.00 0.30 C ATOM 845 C ARG A 59 10.029 11.883 -0.462 1.00 0.27 C ATOM 846 O ARG A 59 10.220 12.672 -1.391 1.00 0.34 O ATOM 847 CB ARG A 59 7.521 11.969 -0.184 1.00 0.42 C ATOM 848 CG ARG A 59 7.013 13.259 -0.797 1.00 0.64 C ATOM 849 CD ARG A 59 5.747 13.026 -1.612 1.00 0.68 C ATOM 850 NE ARG A 59 6.000 12.192 -2.785 1.00 1.41 N ATOM 851 CZ ARG A 59 5.805 12.586 -4.043 1.00 1.81 C ATOM 852 NH1 ARG A 59 5.307 13.790 -4.302 1.00 1.78 N ATOM 853 NH2 ARG A 59 6.092 11.759 -5.041 1.00 2.81 N ATOM 0 H ARG A 59 8.562 14.167 0.700 1.00 0.32 H new ATOM 0 HA ARG A 59 8.932 11.319 1.279 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.600 11.214 -0.967 1.00 0.42 H new ATOM 0 HB3 ARG A 59 6.786 11.607 0.535 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.812 13.984 -0.008 1.00 0.64 H new ATOM 0 HG3 ARG A 59 7.785 13.689 -1.436 1.00 0.64 H new ATOM 0 HD2 ARG A 59 4.993 12.551 -0.984 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.338 13.985 -1.930 1.00 0.68 H new ATOM 0 HE ARG A 59 6.349 11.246 -2.631 1.00 1.41 H new ATOM 0 HH11 ARG A 59 5.071 14.420 -3.535 1.00 1.78 H new ATOM 0 HH12 ARG A 59 5.161 14.084 -5.268 1.00 1.78 H new ATOM 0 HH21 ARG A 59 6.459 10.828 -4.843 1.00 2.81 H new ATOM 0 HH22 ARG A 59 5.945 12.054 -6.006 1.00 2.81 H new ATOM 867 N PRO A 60 10.832 10.824 -0.234 1.00 0.23 N ATOM 868 CA PRO A 60 11.987 10.483 -1.076 1.00 0.26 C ATOM 869 C PRO A 60 11.641 10.367 -2.558 1.00 0.26 C ATOM 870 O PRO A 60 10.531 9.976 -2.925 1.00 0.28 O ATOM 871 CB PRO A 60 12.440 9.115 -0.541 1.00 0.30 C ATOM 872 CG PRO A 60 11.309 8.635 0.300 1.00 0.28 C ATOM 873 CD PRO A 60 10.697 9.874 0.880 1.00 0.21 C ATOM 0 HA PRO A 60 12.748 11.261 -1.023 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.647 8.422 -1.356 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.356 9.204 0.043 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.584 8.079 -0.295 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.659 7.964 1.085 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.656 9.722 1.164 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.224 10.212 1.772 1.00 0.21 H new ATOM 881 N VAL A 61 12.606 10.686 -3.405 1.00 0.29 N ATOM 882 CA VAL A 61 12.401 10.624 -4.843 1.00 0.31 C ATOM 883 C VAL A 61 13.002 9.338 -5.393 1.00 0.28 C ATOM 884 O VAL A 61 13.950 8.796 -4.824 1.00 0.27 O ATOM 885 CB VAL A 61 13.046 11.832 -5.556 1.00 0.40 C ATOM 886 CG1 VAL A 61 12.616 11.912 -7.014 1.00 0.81 C ATOM 887 CG2 VAL A 61 12.716 13.129 -4.830 1.00 0.88 C ATOM 0 H VAL A 61 13.538 10.990 -3.122 1.00 0.29 H new ATOM 0 HA VAL A 61 11.327 10.646 -5.030 1.00 0.31 H new ATOM 0 HB VAL A 61 14.126 11.688 -5.533 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.088 12.774 -7.486 1.00 0.81 H new ATOM 0 HG12 VAL A 61 12.919 11.003 -7.533 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.532 12.017 -7.069 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.181 13.966 -5.351 1.00 0.88 H new ATOM 0 HG22 VAL A 61 11.635 13.270 -4.810 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.095 13.081 -3.809 1.00 0.88 H new ATOM 897 N LYS A 62 12.445 8.841 -6.483 1.00 0.27 N ATOM 898 CA LYS A 62 12.972 7.659 -7.130 1.00 0.27 C ATOM 899 C LYS A 62 14.389 7.893 -7.610 1.00 0.25 C ATOM 900 O LYS A 62 14.643 8.700 -8.502 1.00 0.31 O ATOM 901 CB LYS A 62 12.058 7.214 -8.257 1.00 0.30 C ATOM 902 CG LYS A 62 11.004 6.225 -7.785 1.00 0.37 C ATOM 903 CD LYS A 62 9.990 5.911 -8.873 1.00 0.41 C ATOM 904 CE LYS A 62 9.104 4.730 -8.496 1.00 0.60 C ATOM 905 NZ LYS A 62 8.326 4.226 -9.660 1.00 1.17 N ATOM 0 H LYS A 62 11.625 9.242 -6.938 1.00 0.27 H new ATOM 0 HA LYS A 62 13.009 6.850 -6.400 1.00 0.27 H new ATOM 0 HB2 LYS A 62 11.568 8.086 -8.691 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.654 6.758 -9.047 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.489 5.303 -7.465 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.488 6.632 -6.915 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.369 6.788 -9.055 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.512 5.691 -9.804 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.722 3.926 -8.097 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.418 5.029 -7.703 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 8.083 3.226 -9.508 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 7.454 4.783 -9.762 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.897 4.316 -10.524 1.00 1.17 H new ATOM 919 N GLY A 63 15.299 7.181 -6.974 1.00 0.25 N ATOM 920 CA GLY A 63 16.701 7.351 -7.215 1.00 0.27 C ATOM 921 C GLY A 63 17.449 7.401 -5.912 1.00 0.30 C ATOM 922 O GLY A 63 18.604 6.988 -5.827 1.00 0.42 O ATOM 0 H GLY A 63 15.077 6.470 -6.277 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.075 6.529 -7.826 1.00 0.27 H new ATOM 0 HA3 GLY A 63 16.872 8.269 -7.777 1.00 0.27 H new ATOM 926 N GLN A 64 16.787 7.893 -4.875 1.00 0.26 N ATOM 927 CA GLN A 64 17.428 7.982 -3.577 1.00 0.28 C ATOM 928 C GLN A 64 17.573 6.599 -2.968 1.00 0.24 C ATOM 929 O GLN A 64 16.672 5.763 -3.072 1.00 0.24 O ATOM 930 CB GLN A 64 16.655 8.879 -2.608 1.00 0.30 C ATOM 931 CG GLN A 64 16.081 10.165 -3.202 1.00 0.36 C ATOM 932 CD GLN A 64 17.082 11.095 -3.890 1.00 0.44 C ATOM 933 OE1 GLN A 64 16.930 12.312 -3.821 1.00 0.59 O ATOM 934 NE2 GLN A 64 18.053 10.555 -4.603 1.00 0.43 N ATOM 0 H GLN A 64 15.825 8.230 -4.907 1.00 0.26 H new ATOM 0 HA GLN A 64 18.410 8.427 -3.738 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.835 8.300 -2.183 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.317 9.146 -1.784 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.311 9.895 -3.925 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.588 10.721 -2.404 1.00 0.36 H new ATOM 0 HE21 GLN A 64 18.154 9.541 -4.641 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.702 11.152 -5.116 1.00 0.43 H new ATOM 943 N VAL A 65 18.714 6.366 -2.354 1.00 0.28 N ATOM 944 CA VAL A 65 18.953 5.150 -1.611 1.00 0.31 C ATOM 945 C VAL A 65 18.313 5.290 -0.236 1.00 0.25 C ATOM 946 O VAL A 65 18.662 6.183 0.537 1.00 0.32 O ATOM 947 CB VAL A 65 20.471 4.865 -1.504 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.772 3.795 -0.474 1.00 1.22 C ATOM 949 CG2 VAL A 65 21.015 4.446 -2.858 1.00 1.05 C ATOM 0 H VAL A 65 19.501 7.015 -2.357 1.00 0.28 H new ATOM 0 HA VAL A 65 18.506 4.302 -2.129 1.00 0.31 H new ATOM 0 HB VAL A 65 20.959 5.784 -1.180 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.848 3.625 -0.430 1.00 1.22 H new ATOM 0 HG12 VAL A 65 20.416 4.120 0.503 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.269 2.869 -0.754 1.00 1.22 H new ATOM 0 HG21 VAL A 65 22.083 4.247 -2.775 1.00 1.05 H new ATOM 0 HG22 VAL A 65 20.503 3.544 -3.193 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.850 5.246 -3.580 1.00 1.05 H new ATOM 959 N VAL A 66 17.342 4.448 0.054 1.00 0.19 N ATOM 960 CA VAL A 66 16.538 4.627 1.249 1.00 0.15 C ATOM 961 C VAL A 66 16.517 3.397 2.131 1.00 0.16 C ATOM 962 O VAL A 66 16.624 2.269 1.657 1.00 0.21 O ATOM 963 CB VAL A 66 15.086 5.000 0.912 1.00 0.17 C ATOM 964 CG1 VAL A 66 15.013 6.288 0.103 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.400 3.875 0.161 1.00 0.25 C ATOM 0 H VAL A 66 17.091 3.639 -0.515 1.00 0.19 H new ATOM 0 HA VAL A 66 17.015 5.444 1.791 1.00 0.15 H new ATOM 0 HB VAL A 66 14.566 5.162 1.856 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.971 6.521 -0.117 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.454 7.103 0.677 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.562 6.163 -0.830 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.373 4.162 -0.066 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.936 3.678 -0.767 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.397 2.975 0.776 1.00 0.25 H new ATOM 975 N THR A 67 16.367 3.644 3.417 1.00 0.13 N ATOM 976 CA THR A 67 16.212 2.596 4.396 1.00 0.15 C ATOM 977 C THR A 67 14.748 2.401 4.734 1.00 0.16 C ATOM 978 O THR A 67 14.074 3.340 5.163 1.00 0.21 O ATOM 979 CB THR A 67 16.944 2.947 5.695 1.00 0.20 C ATOM 980 OG1 THR A 67 16.965 4.364 5.870 1.00 0.29 O ATOM 981 CG2 THR A 67 18.352 2.416 5.711 1.00 0.27 C ATOM 0 H THR A 67 16.350 4.585 3.811 1.00 0.13 H new ATOM 0 HA THR A 67 16.631 1.687 3.965 1.00 0.15 H new ATOM 0 HB THR A 67 16.402 2.476 6.515 1.00 0.20 H new ATOM 0 HG1 THR A 67 17.474 4.586 6.677 1.00 0.29 H new ATOM 0 HG21 THR A 67 18.833 2.688 6.650 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.333 1.330 5.615 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.912 2.844 4.879 1.00 0.27 H new ATOM 989 N VAL A 68 14.246 1.204 4.531 1.00 0.15 N ATOM 990 CA VAL A 68 12.937 0.864 5.044 1.00 0.15 C ATOM 991 C VAL A 68 13.046 -0.278 6.034 1.00 0.15 C ATOM 992 O VAL A 68 13.922 -1.124 5.922 1.00 0.17 O ATOM 993 CB VAL A 68 11.919 0.481 3.939 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.617 1.677 3.052 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.427 -0.683 3.106 1.00 0.19 C ATOM 0 H VAL A 68 14.717 0.457 4.021 1.00 0.15 H new ATOM 0 HA VAL A 68 12.561 1.764 5.531 1.00 0.15 H new ATOM 0 HB VAL A 68 10.996 0.169 4.428 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.901 1.388 2.283 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.196 2.481 3.656 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.537 2.021 2.580 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.693 -0.930 2.339 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.369 -0.407 2.631 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.585 -1.549 3.749 1.00 0.19 H new ATOM 1005 N HIS A 69 12.184 -0.285 7.020 1.00 0.14 N ATOM 1006 CA HIS A 69 12.040 -1.453 7.855 1.00 0.15 C ATOM 1007 C HIS A 69 10.780 -2.150 7.413 1.00 0.14 C ATOM 1008 O HIS A 69 9.702 -1.585 7.536 1.00 0.15 O ATOM 1009 CB HIS A 69 11.931 -1.101 9.352 1.00 0.15 C ATOM 1010 CG HIS A 69 11.693 -2.318 10.228 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.106 -2.439 11.540 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.071 -3.487 9.943 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.745 -3.633 11.997 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.120 -4.276 11.052 1.00 0.18 N ATOM 0 H HIS A 69 11.576 0.497 7.263 1.00 0.14 H new ATOM 0 HA HIS A 69 12.923 -2.082 7.747 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.847 -0.603 9.671 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.116 -0.391 9.495 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.607 -1.727 12.072 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.615 -3.748 8.999 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.938 -4.009 12.991 1.00 0.18 H new ATOM 1023 N LEU A 70 10.892 -3.368 6.921 1.00 0.15 N ATOM 1024 CA LEU A 70 9.702 -4.087 6.548 1.00 0.16 C ATOM 1025 C LEU A 70 9.553 -5.352 7.367 1.00 0.15 C ATOM 1026 O LEU A 70 10.517 -6.046 7.676 1.00 0.21 O ATOM 1027 CB LEU A 70 9.651 -4.434 5.056 1.00 0.21 C ATOM 1028 CG LEU A 70 10.269 -5.773 4.679 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.712 -6.265 3.355 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.777 -5.657 4.593 1.00 0.38 C ATOM 0 H LEU A 70 11.771 -3.865 6.775 1.00 0.15 H new ATOM 0 HA LEU A 70 8.870 -3.414 6.756 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.610 -4.429 4.734 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.160 -3.648 4.499 1.00 0.21 H new ATOM 0 HG LEU A 70 10.015 -6.494 5.456 1.00 0.31 H new ATOM 0 HD11 LEU A 70 10.166 -7.223 3.103 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.632 -6.386 3.437 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.938 -5.540 2.573 1.00 0.39 H new ATOM 0 HD21 LEU A 70 12.201 -6.624 4.322 1.00 0.38 H new ATOM 0 HD22 LEU A 70 12.043 -4.919 3.836 1.00 0.38 H new ATOM 0 HD23 LEU A 70 12.174 -5.344 5.559 1.00 0.38 H new ATOM 1042 N GLN A 71 8.338 -5.598 7.766 1.00 0.13 N ATOM 1043 CA GLN A 71 7.932 -6.880 8.292 1.00 0.14 C ATOM 1044 C GLN A 71 6.621 -7.172 7.642 1.00 0.14 C ATOM 1045 O GLN A 71 5.631 -6.471 7.860 1.00 0.14 O ATOM 1046 CB GLN A 71 7.765 -6.904 9.810 1.00 0.15 C ATOM 1047 CG GLN A 71 8.623 -5.907 10.555 1.00 0.15 C ATOM 1048 CD GLN A 71 7.961 -4.561 10.724 1.00 0.16 C ATOM 1049 OE1 GLN A 71 8.267 -3.818 11.652 1.00 0.27 O ATOM 1050 NE2 GLN A 71 7.026 -4.254 9.858 1.00 0.18 N ATOM 0 H GLN A 71 7.588 -4.908 7.737 1.00 0.13 H new ATOM 0 HA GLN A 71 8.704 -7.619 8.080 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.719 -6.714 10.050 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.998 -7.905 10.172 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.867 -6.310 11.538 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.564 -5.777 10.021 1.00 0.15 H new ATOM 0 HE21 GLN A 71 6.801 -4.899 9.100 1.00 0.18 H new ATOM 0 HE22 GLN A 71 6.524 -3.370 9.942 1.00 0.18 H new ATOM 1059 N THR A 72 6.630 -8.180 6.838 1.00 0.15 N ATOM 1060 CA THR A 72 5.549 -8.428 5.945 1.00 0.16 C ATOM 1061 C THR A 72 4.670 -9.542 6.454 1.00 0.16 C ATOM 1062 O THR A 72 5.148 -10.629 6.766 1.00 0.17 O ATOM 1063 CB THR A 72 6.103 -8.773 4.572 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.948 -7.710 4.116 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.980 -8.994 3.595 1.00 0.19 C ATOM 0 H THR A 72 7.390 -8.858 6.781 1.00 0.15 H new ATOM 0 HA THR A 72 4.936 -7.530 5.875 1.00 0.16 H new ATOM 0 HB THR A 72 6.685 -9.692 4.644 1.00 0.17 H new ATOM 0 HG1 THR A 72 6.921 -7.667 3.137 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.392 -9.240 2.616 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.353 -9.815 3.941 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.381 -8.087 3.518 1.00 0.19 H new ATOM 1073 N SER A 73 3.392 -9.259 6.532 1.00 0.17 N ATOM 1074 CA SER A 73 2.433 -10.191 7.053 1.00 0.17 C ATOM 1075 C SER A 73 1.570 -10.709 5.921 1.00 0.15 C ATOM 1076 O SER A 73 1.495 -10.101 4.856 1.00 0.26 O ATOM 1077 CB SER A 73 1.558 -9.493 8.104 1.00 0.23 C ATOM 1078 OG SER A 73 0.826 -10.424 8.872 1.00 1.06 O ATOM 0 H SER A 73 2.990 -8.370 6.233 1.00 0.17 H new ATOM 0 HA SER A 73 2.951 -11.028 7.521 1.00 0.17 H new ATOM 0 HB2 SER A 73 2.187 -8.893 8.761 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.870 -8.808 7.609 1.00 0.23 H new ATOM 0 HG SER A 73 0.281 -9.947 9.532 1.00 1.06 H new ATOM 1084 N LEU A 74 0.955 -11.837 6.149 1.00 0.19 N ATOM 1085 CA LEU A 74 -0.003 -12.381 5.222 1.00 0.18 C ATOM 1086 C LEU A 74 -1.357 -11.766 5.485 1.00 0.19 C ATOM 1087 O LEU A 74 -1.569 -11.154 6.532 1.00 0.21 O ATOM 1088 CB LEU A 74 -0.071 -13.899 5.368 1.00 0.22 C ATOM 1089 CG LEU A 74 1.197 -14.629 4.940 1.00 0.38 C ATOM 1090 CD1 LEU A 74 0.930 -16.112 4.745 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.758 -14.006 3.674 1.00 0.72 C ATOM 0 H LEU A 74 1.103 -12.406 6.982 1.00 0.19 H new ATOM 0 HA LEU A 74 0.305 -12.147 4.203 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.282 -14.143 6.409 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.908 -14.272 4.777 1.00 0.22 H new ATOM 0 HG LEU A 74 1.939 -14.528 5.732 1.00 0.38 H new ATOM 0 HD11 LEU A 74 1.850 -16.610 4.440 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.576 -16.544 5.681 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.172 -16.247 3.974 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.663 -14.536 3.378 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.019 -14.076 2.876 1.00 0.72 H new ATOM 0 HD23 LEU A 74 1.995 -12.958 3.858 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.260 -11.917 4.533 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.643 -11.501 4.709 1.00 0.26 C ATOM 1105 C GLU A 75 -4.226 -12.098 5.996 1.00 0.32 C ATOM 1106 O GLU A 75 -5.158 -11.557 6.592 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.468 -11.960 3.512 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.118 -13.370 3.053 1.00 0.34 C ATOM 1109 CD GLU A 75 -5.023 -13.878 1.958 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.827 -13.495 0.788 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.929 -14.681 2.272 1.00 1.14 O ATOM 0 H GLU A 75 -2.059 -12.328 3.621 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.676 -10.414 4.784 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.526 -11.920 3.770 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.315 -11.266 2.685 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.087 -13.385 2.700 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.173 -14.047 3.905 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.632 -13.208 6.421 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.111 -13.970 7.562 1.00 0.41 C ATOM 1120 C ASN A 76 -3.397 -13.575 8.854 1.00 0.39 C ATOM 1121 O ASN A 76 -3.767 -14.030 9.936 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.936 -15.465 7.275 1.00 0.50 C ATOM 1123 CG ASN A 76 -2.493 -15.870 7.017 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -1.563 -15.398 7.664 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -2.295 -16.714 6.020 1.00 1.13 N ATOM 0 H ASN A 76 -2.802 -13.604 5.980 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.168 -13.746 7.709 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -4.319 -16.036 8.121 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.541 -15.733 6.409 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -1.347 -16.992 5.768 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -3.091 -17.088 5.503 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.371 -12.737 8.739 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.670 -12.253 9.915 1.00 0.32 C ATOM 1134 C GLY A 77 -0.286 -12.852 10.099 1.00 0.32 C ATOM 1135 O GLY A 77 0.477 -12.397 10.957 1.00 0.51 O ATOM 0 H GLY A 77 -2.012 -12.384 7.852 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.580 -11.169 9.851 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.270 -12.471 10.799 1.00 0.32 H new ATOM 1139 N THR A 78 0.057 -13.853 9.302 1.00 0.28 N ATOM 1140 CA THR A 78 1.365 -14.484 9.408 1.00 0.28 C ATOM 1141 C THR A 78 2.461 -13.614 8.806 1.00 0.23 C ATOM 1142 O THR A 78 2.517 -13.414 7.596 1.00 0.21 O ATOM 1143 CB THR A 78 1.383 -15.870 8.734 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.383 -16.714 9.319 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.747 -16.532 8.873 1.00 0.39 C ATOM 0 H THR A 78 -0.547 -14.244 8.579 1.00 0.28 H new ATOM 0 HA THR A 78 1.562 -14.608 10.473 1.00 0.28 H new ATOM 0 HB THR A 78 1.172 -15.729 7.674 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.490 -16.511 8.922 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.729 -17.508 8.388 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.505 -15.906 8.401 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.985 -16.656 9.929 1.00 0.39 H new ATOM 1153 N ARG A 79 3.325 -13.082 9.659 1.00 0.24 N ATOM 1154 CA ARG A 79 4.466 -12.319 9.190 1.00 0.22 C ATOM 1155 C ARG A 79 5.552 -13.251 8.689 1.00 0.24 C ATOM 1156 O ARG A 79 6.193 -13.972 9.451 1.00 0.33 O ATOM 1157 CB ARG A 79 4.974 -11.377 10.269 1.00 0.25 C ATOM 1158 CG ARG A 79 3.992 -10.253 10.524 1.00 0.25 C ATOM 1159 CD ARG A 79 4.700 -8.943 10.806 1.00 0.28 C ATOM 1160 NE ARG A 79 3.774 -7.799 10.794 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.060 -6.582 11.276 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.214 -6.353 11.890 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.177 -5.599 11.157 1.00 0.47 N ATOM 0 H ARG A 79 3.256 -13.165 10.673 1.00 0.24 H new ATOM 0 HA ARG A 79 4.151 -11.698 8.352 1.00 0.22 H new ATOM 0 HB2 ARG A 79 5.141 -11.933 11.191 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.936 -10.961 9.969 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.341 -10.135 9.658 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.355 -10.512 11.370 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.193 -9.000 11.777 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.480 -8.785 10.061 1.00 0.28 H new ATOM 0 HE ARG A 79 2.849 -7.943 10.390 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.892 -7.107 11.998 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.423 -5.423 12.254 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.282 -5.770 10.699 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.393 -4.672 11.523 1.00 0.47 H new ATOM 1177 N VAL A 80 5.733 -13.213 7.385 1.00 0.20 N ATOM 1178 CA VAL A 80 6.558 -14.170 6.679 1.00 0.22 C ATOM 1179 C VAL A 80 7.999 -13.695 6.553 1.00 0.21 C ATOM 1180 O VAL A 80 8.886 -14.464 6.182 1.00 0.27 O ATOM 1181 CB VAL A 80 5.979 -14.432 5.276 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.581 -15.009 5.387 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.970 -13.155 4.443 1.00 0.22 C ATOM 0 H VAL A 80 5.307 -12.510 6.780 1.00 0.20 H new ATOM 0 HA VAL A 80 6.557 -15.092 7.260 1.00 0.22 H new ATOM 0 HB VAL A 80 6.617 -15.157 4.770 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.182 -15.190 4.389 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.618 -15.948 5.939 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.937 -14.304 5.913 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.557 -13.367 3.457 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.358 -12.401 4.939 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.989 -12.783 4.337 1.00 0.22 H new ATOM 1193 N GLN A 81 8.227 -12.426 6.850 1.00 0.18 N ATOM 1194 CA GLN A 81 9.555 -11.847 6.724 1.00 0.19 C ATOM 1195 C GLN A 81 9.683 -10.601 7.585 1.00 0.19 C ATOM 1196 O GLN A 81 8.872 -9.678 7.482 1.00 0.26 O ATOM 1197 CB GLN A 81 9.858 -11.533 5.249 1.00 0.23 C ATOM 1198 CG GLN A 81 8.858 -10.595 4.588 1.00 0.23 C ATOM 1199 CD GLN A 81 9.019 -10.549 3.081 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.755 -9.731 2.538 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.319 -11.436 2.396 1.00 0.50 N ATOM 0 H GLN A 81 7.511 -11.778 7.179 1.00 0.18 H new ATOM 0 HA GLN A 81 10.287 -12.572 7.078 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.852 -11.091 5.181 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.886 -12.468 4.689 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.846 -10.916 4.833 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.981 -9.591 4.995 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.718 -12.099 2.885 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.379 -11.457 1.378 1.00 0.50 H new ATOM 1210 N GLU A 82 10.676 -10.595 8.458 1.00 0.24 N ATOM 1211 CA GLU A 82 10.979 -9.423 9.251 1.00 0.24 C ATOM 1212 C GLU A 82 12.374 -8.935 8.912 1.00 0.25 C ATOM 1213 O GLU A 82 13.343 -9.693 8.978 1.00 0.41 O ATOM 1214 CB GLU A 82 10.873 -9.712 10.747 1.00 0.35 C ATOM 1215 CG GLU A 82 11.249 -8.518 11.603 1.00 0.44 C ATOM 1216 CD GLU A 82 11.072 -8.757 13.085 1.00 0.82 C ATOM 1217 OE1 GLU A 82 11.959 -9.381 13.704 1.00 1.21 O ATOM 1218 OE2 GLU A 82 10.053 -8.301 13.643 1.00 1.34 O ATOM 0 H GLU A 82 11.286 -11.393 8.634 1.00 0.24 H new ATOM 0 HA GLU A 82 10.248 -8.650 9.014 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.853 -10.016 10.983 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.521 -10.552 10.997 1.00 0.35 H new ATOM 0 HG2 GLU A 82 12.288 -8.254 11.407 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.642 -7.663 11.306 1.00 0.44 H new ATOM 1225 N GLU A 83 12.460 -7.680 8.526 1.00 0.22 N ATOM 1226 CA GLU A 83 13.714 -7.095 8.115 1.00 0.26 C ATOM 1227 C GLU A 83 13.789 -5.638 8.546 1.00 0.23 C ATOM 1228 O GLU A 83 13.105 -4.765 8.010 1.00 0.24 O ATOM 1229 CB GLU A 83 13.864 -7.290 6.603 1.00 0.39 C ATOM 1230 CG GLU A 83 14.964 -6.486 5.940 1.00 1.20 C ATOM 1231 CD GLU A 83 15.462 -7.172 4.682 1.00 1.73 C ATOM 1232 OE1 GLU A 83 16.389 -8.001 4.769 1.00 1.69 O ATOM 1233 OE2 GLU A 83 14.956 -6.844 3.585 1.00 2.59 O ATOM 0 H GLU A 83 11.666 -7.041 8.489 1.00 0.22 H new ATOM 0 HA GLU A 83 14.554 -7.590 8.603 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.045 -8.347 6.408 1.00 0.39 H new ATOM 0 HB3 GLU A 83 12.917 -7.036 6.127 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.593 -5.492 5.693 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.792 -6.353 6.637 1.00 1.20 H new ATOM 1240 N PRO A 84 14.621 -5.377 9.563 1.00 0.23 N ATOM 1241 CA PRO A 84 14.696 -4.074 10.228 1.00 0.21 C ATOM 1242 C PRO A 84 15.285 -2.972 9.359 1.00 0.19 C ATOM 1243 O PRO A 84 15.073 -1.789 9.628 1.00 0.20 O ATOM 1244 CB PRO A 84 15.604 -4.339 11.430 1.00 0.25 C ATOM 1245 CG PRO A 84 16.437 -5.501 11.029 1.00 0.50 C ATOM 1246 CD PRO A 84 15.559 -6.351 10.153 1.00 0.31 C ATOM 0 HA PRO A 84 13.701 -3.711 10.484 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.221 -3.470 11.658 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.021 -4.560 12.324 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.328 -5.177 10.492 1.00 0.50 H new ATOM 0 HG3 PRO A 84 16.776 -6.059 11.902 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.136 -6.868 9.387 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.036 -7.115 10.728 1.00 0.31 H new ATOM 1254 N GLU A 85 16.000 -3.344 8.313 1.00 0.20 N ATOM 1255 CA GLU A 85 16.689 -2.361 7.503 1.00 0.22 C ATOM 1256 C GLU A 85 16.990 -2.907 6.129 1.00 0.24 C ATOM 1257 O GLU A 85 17.929 -3.676 5.924 1.00 0.35 O ATOM 1258 CB GLU A 85 17.962 -1.906 8.212 1.00 0.31 C ATOM 1259 CG GLU A 85 18.575 -0.647 7.643 1.00 0.34 C ATOM 1260 CD GLU A 85 19.488 0.025 8.641 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.970 0.735 9.528 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.719 -0.170 8.563 1.00 1.30 O ATOM 0 H GLU A 85 16.117 -4.310 8.008 1.00 0.20 H new ATOM 0 HA GLU A 85 16.039 -1.496 7.371 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.738 -1.743 9.266 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.698 -2.709 8.163 1.00 0.31 H new ATOM 0 HG2 GLU A 85 19.137 -0.890 6.741 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.784 0.043 7.350 1.00 0.34 H new ATOM 1269 N LEU A 86 16.141 -2.510 5.217 1.00 0.23 N ATOM 1270 CA LEU A 86 16.273 -2.823 3.824 1.00 0.24 C ATOM 1271 C LEU A 86 16.555 -1.542 3.059 1.00 0.23 C ATOM 1272 O LEU A 86 15.734 -0.626 3.040 1.00 0.25 O ATOM 1273 CB LEU A 86 14.982 -3.461 3.325 1.00 0.26 C ATOM 1274 CG LEU A 86 14.916 -3.692 1.827 1.00 0.33 C ATOM 1275 CD1 LEU A 86 16.092 -4.534 1.353 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.601 -4.350 1.458 1.00 0.38 C ATOM 0 H LEU A 86 15.319 -1.946 5.432 1.00 0.23 H new ATOM 0 HA LEU A 86 17.094 -3.524 3.671 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.848 -4.417 3.831 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.145 -2.827 3.616 1.00 0.26 H new ATOM 0 HG LEU A 86 14.975 -2.726 1.326 1.00 0.33 H new ATOM 0 HD11 LEU A 86 16.021 -4.685 0.276 1.00 0.38 H new ATOM 0 HD12 LEU A 86 17.025 -4.021 1.587 1.00 0.38 H new ATOM 0 HD13 LEU A 86 16.074 -5.500 1.857 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.564 -4.511 0.381 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.517 -5.308 1.971 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.775 -3.705 1.757 1.00 0.38 H new ATOM 1288 N VAL A 87 17.720 -1.466 2.455 1.00 0.24 N ATOM 1289 CA VAL A 87 18.112 -0.274 1.731 1.00 0.22 C ATOM 1290 C VAL A 87 18.193 -0.582 0.234 1.00 0.21 C ATOM 1291 O VAL A 87 18.746 -1.606 -0.168 1.00 0.28 O ATOM 1292 CB VAL A 87 19.453 0.279 2.276 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.611 -0.658 1.988 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.735 1.665 1.732 1.00 0.94 C ATOM 0 H VAL A 87 18.413 -2.214 2.450 1.00 0.24 H new ATOM 0 HA VAL A 87 17.360 0.501 1.878 1.00 0.22 H new ATOM 0 HB VAL A 87 19.352 0.351 3.359 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.532 -0.232 2.387 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.424 -1.623 2.459 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.711 -0.793 0.911 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.682 2.027 2.132 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.792 1.624 0.644 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.934 2.342 2.028 1.00 0.94 H new ATOM 1304 N PHE A 88 17.608 0.285 -0.583 1.00 0.17 N ATOM 1305 CA PHE A 88 17.483 0.027 -2.016 1.00 0.19 C ATOM 1306 C PHE A 88 17.370 1.330 -2.792 1.00 0.20 C ATOM 1307 O PHE A 88 17.127 2.392 -2.214 1.00 0.23 O ATOM 1308 CB PHE A 88 16.257 -0.851 -2.285 1.00 0.21 C ATOM 1309 CG PHE A 88 14.945 -0.202 -1.938 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.555 -0.087 -0.616 1.00 0.19 C ATOM 1311 CD2 PHE A 88 14.116 0.297 -2.928 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.362 0.515 -0.285 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.920 0.905 -2.606 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.511 0.974 -1.322 1.00 0.15 C ATOM 0 H PHE A 88 17.212 1.174 -0.279 1.00 0.17 H new ATOM 0 HA PHE A 88 18.379 -0.496 -2.351 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.246 -1.126 -3.340 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.354 -1.775 -1.715 1.00 0.21 H new ATOM 0 HD1 PHE A 88 15.193 -0.474 0.165 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.409 0.209 -3.964 1.00 0.17 H new ATOM 0 HE1 PHE A 88 13.078 0.636 0.750 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.307 1.329 -3.387 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.538 1.378 -1.085 1.00 0.15 H new ATOM 1324 N THR A 89 17.567 1.238 -4.096 1.00 0.23 N ATOM 1325 CA THR A 89 17.400 2.374 -4.982 1.00 0.25 C ATOM 1326 C THR A 89 15.925 2.523 -5.347 1.00 0.21 C ATOM 1327 O THR A 89 15.355 1.657 -6.014 1.00 0.22 O ATOM 1328 CB THR A 89 18.225 2.193 -6.271 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.492 1.597 -5.956 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.445 3.530 -6.965 1.00 0.37 C ATOM 0 H THR A 89 17.846 0.377 -4.567 1.00 0.23 H new ATOM 0 HA THR A 89 17.751 3.267 -4.465 1.00 0.25 H new ATOM 0 HB THR A 89 17.672 1.540 -6.946 1.00 0.33 H new ATOM 0 HG1 THR A 89 20.013 1.482 -6.778 1.00 0.42 H new ATOM 0 HG21 THR A 89 19.030 3.377 -7.872 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.481 3.968 -7.224 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.982 4.203 -6.296 1.00 0.37 H new ATOM 1338 N LEU A 90 15.307 3.596 -4.876 1.00 0.19 N ATOM 1339 CA LEU A 90 13.898 3.843 -5.142 1.00 0.16 C ATOM 1340 C LEU A 90 13.637 3.943 -6.637 1.00 0.15 C ATOM 1341 O LEU A 90 14.286 4.713 -7.337 1.00 0.18 O ATOM 1342 CB LEU A 90 13.446 5.132 -4.465 1.00 0.16 C ATOM 1343 CG LEU A 90 11.940 5.280 -4.329 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.358 4.042 -3.663 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.607 6.531 -3.531 1.00 0.60 C ATOM 0 H LEU A 90 15.760 4.311 -4.307 1.00 0.19 H new ATOM 0 HA LEU A 90 13.332 3.003 -4.739 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.894 5.182 -3.473 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.832 5.979 -5.032 1.00 0.16 H new ATOM 0 HG LEU A 90 11.498 5.380 -5.320 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.278 4.154 -3.568 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.580 3.164 -4.270 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.798 3.920 -2.673 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.525 6.627 -3.440 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.050 6.458 -2.538 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.007 7.406 -4.043 1.00 0.60 H new ATOM 1357 N GLY A 91 12.699 3.152 -7.125 1.00 0.20 N ATOM 1358 CA GLY A 91 12.303 3.243 -8.510 1.00 0.23 C ATOM 1359 C GLY A 91 13.211 2.462 -9.419 1.00 0.26 C ATOM 1360 O GLY A 91 13.077 2.509 -10.643 1.00 0.37 O ATOM 0 H GLY A 91 12.202 2.445 -6.583 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.282 2.876 -8.618 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.300 4.289 -8.816 1.00 0.23 H new ATOM 1364 N ASP A 92 14.137 1.738 -8.817 1.00 0.27 N ATOM 1365 CA ASP A 92 15.001 0.842 -9.556 1.00 0.32 C ATOM 1366 C ASP A 92 14.326 -0.508 -9.601 1.00 0.30 C ATOM 1367 O ASP A 92 14.758 -1.424 -10.306 1.00 0.37 O ATOM 1368 CB ASP A 92 16.373 0.747 -8.882 1.00 0.42 C ATOM 1369 CG ASP A 92 17.360 -0.115 -9.643 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.907 0.355 -10.663 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.600 -1.264 -9.218 1.00 0.82 O ATOM 0 H ASP A 92 14.309 1.755 -7.812 1.00 0.27 H new ATOM 0 HA ASP A 92 15.164 1.213 -10.568 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.786 1.750 -8.773 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.249 0.343 -7.877 1.00 0.42 H new ATOM 1376 N CYS A 93 13.226 -0.593 -8.849 1.00 0.28 N ATOM 1377 CA CYS A 93 12.464 -1.821 -8.714 1.00 0.27 C ATOM 1378 C CYS A 93 13.347 -2.927 -8.164 1.00 0.26 C ATOM 1379 O CYS A 93 13.140 -4.105 -8.455 1.00 0.31 O ATOM 1380 CB CYS A 93 11.865 -2.229 -10.057 1.00 0.38 C ATOM 1381 SG CYS A 93 10.888 -0.921 -10.836 1.00 0.62 S ATOM 0 H CYS A 93 12.845 0.191 -8.320 1.00 0.28 H new ATOM 0 HA CYS A 93 11.646 -1.649 -8.014 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.670 -2.522 -10.731 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.235 -3.107 -9.914 1.00 0.38 H new ATOM 0 HG CYS A 93 9.638 -1.276 -10.872 1.00 0.62 H new ATOM 1387 N ASP A 94 14.316 -2.543 -7.330 1.00 0.27 N ATOM 1388 CA ASP A 94 15.235 -3.497 -6.742 1.00 0.33 C ATOM 1389 C ASP A 94 14.474 -4.396 -5.781 1.00 0.33 C ATOM 1390 O ASP A 94 14.902 -5.496 -5.432 1.00 0.48 O ATOM 1391 CB ASP A 94 16.344 -2.752 -6.001 1.00 0.41 C ATOM 1392 CG ASP A 94 17.504 -3.649 -5.626 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.363 -3.916 -6.488 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.552 -4.099 -4.460 1.00 1.33 O ATOM 0 H ASP A 94 14.478 -1.575 -7.052 1.00 0.27 H new ATOM 0 HA ASP A 94 15.685 -4.107 -7.525 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.708 -1.937 -6.626 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.932 -2.302 -5.098 1.00 0.41 H new ATOM 1399 N VAL A 95 13.306 -3.913 -5.403 1.00 0.23 N ATOM 1400 CA VAL A 95 12.472 -4.550 -4.405 1.00 0.21 C ATOM 1401 C VAL A 95 11.183 -5.046 -5.030 1.00 0.20 C ATOM 1402 O VAL A 95 11.127 -5.299 -6.233 1.00 0.22 O ATOM 1403 CB VAL A 95 12.141 -3.540 -3.299 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.359 -3.307 -2.429 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.676 -2.231 -3.920 1.00 0.19 C ATOM 0 H VAL A 95 12.906 -3.056 -5.786 1.00 0.23 H new ATOM 0 HA VAL A 95 13.012 -5.399 -3.986 1.00 0.21 H new ATOM 0 HB VAL A 95 11.340 -3.939 -2.677 1.00 0.20 H new ATOM 0 HG11 VAL A 95 13.115 -2.589 -1.646 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.667 -4.249 -1.974 1.00 0.23 H new ATOM 0 HG13 VAL A 95 14.173 -2.916 -3.040 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.442 -1.517 -3.131 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.467 -1.827 -4.552 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.786 -2.410 -4.523 1.00 0.19 H new ATOM 1415 N ILE A 96 10.151 -5.185 -4.214 1.00 0.19 N ATOM 1416 CA ILE A 96 8.841 -5.501 -4.715 1.00 0.19 C ATOM 1417 C ILE A 96 8.209 -4.206 -5.168 1.00 0.16 C ATOM 1418 O ILE A 96 8.353 -3.178 -4.505 1.00 0.15 O ATOM 1419 CB ILE A 96 7.958 -6.198 -3.654 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.864 -5.357 -2.379 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.509 -7.580 -3.341 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.963 -5.954 -1.318 1.00 0.29 C ATOM 0 H ILE A 96 10.204 -5.082 -3.201 1.00 0.19 H new ATOM 0 HA ILE A 96 8.929 -6.206 -5.542 1.00 0.19 H new ATOM 0 HB ILE A 96 6.952 -6.303 -4.061 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.864 -5.230 -1.964 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.497 -4.363 -2.637 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.880 -8.062 -2.593 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.518 -8.182 -4.249 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.525 -7.488 -2.956 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.947 -5.302 -0.445 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.952 -6.055 -1.714 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.340 -6.936 -1.031 1.00 0.29 H new ATOM 1434 N GLN A 97 7.557 -4.240 -6.308 1.00 0.17 N ATOM 1435 CA GLN A 97 7.022 -3.025 -6.903 1.00 0.17 C ATOM 1436 C GLN A 97 6.077 -2.314 -5.937 1.00 0.16 C ATOM 1437 O GLN A 97 5.975 -1.089 -5.949 1.00 0.16 O ATOM 1438 CB GLN A 97 6.310 -3.313 -8.222 1.00 0.19 C ATOM 1439 CG GLN A 97 6.074 -2.051 -9.034 1.00 0.25 C ATOM 1440 CD GLN A 97 7.360 -1.490 -9.620 1.00 0.31 C ATOM 1441 OE1 GLN A 97 7.711 -1.784 -10.760 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.092 -0.712 -8.833 1.00 0.32 N ATOM 0 H GLN A 97 7.382 -5.090 -6.844 1.00 0.17 H new ATOM 0 HA GLN A 97 7.866 -2.368 -7.112 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.904 -4.014 -8.808 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.354 -3.797 -8.019 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.374 -2.267 -9.841 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.607 -1.297 -8.401 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.768 -0.489 -7.892 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.979 -0.336 -9.169 1.00 0.32 H new ATOM 1451 N ALA A 98 5.416 -3.091 -5.084 1.00 0.17 N ATOM 1452 CA ALA A 98 4.562 -2.537 -4.042 1.00 0.18 C ATOM 1453 C ALA A 98 5.339 -1.566 -3.169 1.00 0.17 C ATOM 1454 O ALA A 98 4.872 -0.470 -2.865 1.00 0.20 O ATOM 1455 CB ALA A 98 3.994 -3.651 -3.185 1.00 0.20 C ATOM 0 H ALA A 98 5.457 -4.110 -5.096 1.00 0.17 H new ATOM 0 HA ALA A 98 3.745 -1.999 -4.522 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.357 -3.225 -2.410 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.406 -4.325 -3.808 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.810 -4.205 -2.721 1.00 0.20 H new ATOM 1461 N LEU A 99 6.541 -1.970 -2.792 1.00 0.17 N ATOM 1462 CA LEU A 99 7.373 -1.162 -1.910 1.00 0.17 C ATOM 1463 C LEU A 99 8.024 -0.026 -2.679 1.00 0.15 C ATOM 1464 O LEU A 99 8.138 1.091 -2.181 1.00 0.15 O ATOM 1465 CB LEU A 99 8.464 -1.995 -1.238 1.00 0.19 C ATOM 1466 CG LEU A 99 9.367 -1.202 -0.290 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.555 -0.617 0.857 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.486 -2.076 0.242 1.00 0.22 C ATOM 0 H LEU A 99 6.964 -2.852 -3.082 1.00 0.17 H new ATOM 0 HA LEU A 99 6.717 -0.759 -1.139 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.995 -2.806 -0.681 1.00 0.19 H new ATOM 0 HB3 LEU A 99 9.081 -2.454 -2.010 1.00 0.19 H new ATOM 0 HG LEU A 99 9.813 -0.381 -0.851 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.214 -0.057 1.521 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.790 0.049 0.458 1.00 0.21 H new ATOM 0 HD13 LEU A 99 8.079 -1.424 1.415 1.00 0.21 H new ATOM 0 HD21 LEU A 99 11.116 -1.492 0.914 1.00 0.22 H new ATOM 0 HD22 LEU A 99 10.061 -2.920 0.785 1.00 0.22 H new ATOM 0 HD23 LEU A 99 11.087 -2.444 -0.590 1.00 0.22 H new ATOM 1480 N ASP A 100 8.418 -0.324 -3.908 1.00 0.15 N ATOM 1481 CA ASP A 100 9.133 0.626 -4.751 1.00 0.16 C ATOM 1482 C ASP A 100 8.257 1.839 -5.007 1.00 0.15 C ATOM 1483 O ASP A 100 8.742 2.953 -5.199 1.00 0.16 O ATOM 1484 CB ASP A 100 9.518 -0.064 -6.061 1.00 0.17 C ATOM 1485 CG ASP A 100 10.401 0.776 -6.958 1.00 0.20 C ATOM 1486 OD1 ASP A 100 11.634 0.787 -6.750 1.00 0.21 O ATOM 1487 OD2 ASP A 100 9.857 1.460 -7.851 1.00 0.26 O ATOM 0 H ASP A 100 8.252 -1.228 -4.349 1.00 0.15 H new ATOM 0 HA ASP A 100 10.042 0.964 -4.254 1.00 0.16 H new ATOM 0 HB2 ASP A 100 10.032 -0.997 -5.832 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.610 -0.326 -6.603 1.00 0.17 H new ATOM 1492 N LEU A 101 6.954 1.605 -5.006 1.00 0.16 N ATOM 1493 CA LEU A 101 5.982 2.666 -5.163 1.00 0.16 C ATOM 1494 C LEU A 101 5.536 3.251 -3.815 1.00 0.15 C ATOM 1495 O LEU A 101 5.274 4.452 -3.704 1.00 0.16 O ATOM 1496 CB LEU A 101 4.778 2.133 -5.933 1.00 0.19 C ATOM 1497 CG LEU A 101 5.085 1.562 -7.320 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.804 1.113 -8.006 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.823 2.585 -8.172 1.00 0.25 C ATOM 0 H LEU A 101 6.546 0.677 -4.897 1.00 0.16 H new ATOM 0 HA LEU A 101 6.454 3.476 -5.719 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.302 1.355 -5.336 1.00 0.19 H new ATOM 0 HB3 LEU A 101 4.053 2.939 -6.043 1.00 0.19 H new ATOM 0 HG LEU A 101 5.732 0.693 -7.198 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.041 0.710 -8.991 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.320 0.343 -7.405 1.00 0.25 H new ATOM 0 HD13 LEU A 101 3.132 1.964 -8.114 1.00 0.25 H new ATOM 0 HD21 LEU A 101 6.031 2.159 -9.153 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.206 3.476 -8.287 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.761 2.854 -7.687 1.00 0.25 H new ATOM 1511 N SER A 102 5.446 2.406 -2.793 1.00 0.15 N ATOM 1512 CA SER A 102 4.915 2.832 -1.500 1.00 0.17 C ATOM 1513 C SER A 102 5.818 3.859 -0.839 1.00 0.15 C ATOM 1514 O SER A 102 5.347 4.752 -0.137 1.00 0.18 O ATOM 1515 CB SER A 102 4.726 1.632 -0.565 1.00 0.23 C ATOM 1516 OG SER A 102 4.434 2.053 0.757 1.00 1.01 O ATOM 0 H SER A 102 5.732 1.428 -2.833 1.00 0.15 H new ATOM 0 HA SER A 102 3.946 3.294 -1.686 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.917 1.002 -0.936 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.630 1.022 -0.564 1.00 0.23 H new ATOM 0 HG SER A 102 5.026 1.590 1.386 1.00 1.01 H new ATOM 1522 N VAL A 103 7.109 3.731 -1.074 1.00 0.15 N ATOM 1523 CA VAL A 103 8.097 4.594 -0.451 1.00 0.16 C ATOM 1524 C VAL A 103 7.993 6.045 -0.929 1.00 0.16 C ATOM 1525 O VAL A 103 7.868 6.944 -0.111 1.00 0.18 O ATOM 1526 CB VAL A 103 9.508 4.070 -0.710 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.560 5.082 -0.272 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.712 2.751 0.015 1.00 0.19 C ATOM 0 H VAL A 103 7.503 3.029 -1.700 1.00 0.15 H new ATOM 0 HA VAL A 103 7.891 4.582 0.619 1.00 0.16 H new ATOM 0 HB VAL A 103 9.622 3.911 -1.782 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.554 4.681 -0.469 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.426 6.010 -0.828 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.453 5.280 0.795 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.721 2.384 -0.175 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.575 2.900 1.086 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.987 2.022 -0.345 1.00 0.19 H new ATOM 1538 N PRO A 104 8.049 6.301 -2.254 1.00 0.17 N ATOM 1539 CA PRO A 104 7.933 7.661 -2.789 1.00 0.21 C ATOM 1540 C PRO A 104 6.569 8.273 -2.496 1.00 0.19 C ATOM 1541 O PRO A 104 6.407 9.495 -2.518 1.00 0.22 O ATOM 1542 CB PRO A 104 8.127 7.484 -4.302 1.00 0.27 C ATOM 1543 CG PRO A 104 7.846 6.044 -4.562 1.00 0.21 C ATOM 1544 CD PRO A 104 8.261 5.315 -3.324 1.00 0.17 C ATOM 0 HA PRO A 104 8.660 8.337 -2.338 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.449 8.126 -4.864 1.00 0.27 H new ATOM 0 HB3 PRO A 104 9.140 7.749 -4.603 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.789 5.884 -4.773 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.402 5.688 -5.430 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.662 4.418 -3.167 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.302 4.997 -3.376 1.00 0.17 H new ATOM 1552 N LEU A 105 5.585 7.411 -2.261 1.00 0.18 N ATOM 1553 CA LEU A 105 4.267 7.851 -1.821 1.00 0.19 C ATOM 1554 C LEU A 105 4.268 8.209 -0.342 1.00 0.22 C ATOM 1555 O LEU A 105 3.508 9.069 0.102 1.00 0.32 O ATOM 1556 CB LEU A 105 3.242 6.749 -2.066 1.00 0.18 C ATOM 1557 CG LEU A 105 2.732 6.614 -3.501 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.355 5.979 -3.495 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.699 7.964 -4.205 1.00 0.64 C ATOM 0 H LEU A 105 5.677 6.401 -2.369 1.00 0.18 H new ATOM 0 HA LEU A 105 4.005 8.740 -2.395 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.682 5.798 -1.767 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.387 6.924 -1.413 1.00 0.18 H new ATOM 0 HG LEU A 105 3.419 5.973 -4.054 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.994 5.884 -4.519 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.412 4.992 -3.037 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.668 6.605 -2.925 1.00 0.53 H new ATOM 0 HD21 LEU A 105 2.332 7.835 -5.223 1.00 0.64 H new ATOM 0 HD22 LEU A 105 2.037 8.640 -3.664 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.704 8.385 -4.232 1.00 0.64 H new ATOM 1571 N MET A 106 5.105 7.532 0.413 1.00 0.20 N ATOM 1572 CA MET A 106 5.190 7.749 1.843 1.00 0.24 C ATOM 1573 C MET A 106 6.199 8.858 2.136 1.00 0.21 C ATOM 1574 O MET A 106 7.074 9.141 1.318 1.00 0.26 O ATOM 1575 CB MET A 106 5.584 6.436 2.540 1.00 0.33 C ATOM 1576 CG MET A 106 7.000 6.418 3.081 1.00 0.53 C ATOM 1577 SD MET A 106 7.647 4.746 3.310 1.00 0.78 S ATOM 1578 CE MET A 106 6.591 4.147 4.621 1.00 0.54 C ATOM 0 H MET A 106 5.743 6.820 0.057 1.00 0.20 H new ATOM 0 HA MET A 106 4.220 8.063 2.229 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.891 6.252 3.361 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.467 5.614 1.834 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.651 6.963 2.398 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.026 6.945 4.035 1.00 0.53 H new ATOM 0 HE1 MET A 106 6.282 3.125 4.401 1.00 0.54 H new ATOM 0 HE2 MET A 106 7.136 4.167 5.565 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.710 4.784 4.698 1.00 0.54 H new ATOM 1588 N ASP A 107 6.078 9.497 3.285 1.00 0.18 N ATOM 1589 CA ASP A 107 7.017 10.560 3.640 1.00 0.18 C ATOM 1590 C ASP A 107 8.042 10.088 4.665 1.00 0.14 C ATOM 1591 O ASP A 107 7.834 9.100 5.371 1.00 0.13 O ATOM 1592 CB ASP A 107 6.303 11.835 4.119 1.00 0.25 C ATOM 1593 CG ASP A 107 5.352 11.629 5.272 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.302 10.984 5.080 1.00 0.92 O ATOM 1595 OD2 ASP A 107 5.621 12.181 6.353 1.00 0.97 O ATOM 0 H ASP A 107 5.356 9.308 3.980 1.00 0.18 H new ATOM 0 HA ASP A 107 7.553 10.816 2.726 1.00 0.18 H new ATOM 0 HB2 ASP A 107 7.055 12.568 4.412 1.00 0.25 H new ATOM 0 HB3 ASP A 107 5.751 12.262 3.282 1.00 0.25 H new ATOM 1600 N VAL A 108 9.169 10.794 4.716 1.00 0.16 N ATOM 1601 CA VAL A 108 10.294 10.397 5.549 1.00 0.16 C ATOM 1602 C VAL A 108 9.916 10.372 7.016 1.00 0.15 C ATOM 1603 O VAL A 108 9.406 11.351 7.564 1.00 0.19 O ATOM 1604 CB VAL A 108 11.513 11.329 5.326 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.423 11.359 6.542 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.300 10.879 4.106 1.00 0.80 C ATOM 0 H VAL A 108 9.325 11.650 4.184 1.00 0.16 H new ATOM 0 HA VAL A 108 10.573 9.386 5.252 1.00 0.16 H new ATOM 0 HB VAL A 108 11.133 12.338 5.163 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.266 12.022 6.349 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.865 11.723 7.405 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.791 10.354 6.746 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.154 11.541 3.959 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.653 9.859 4.257 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.658 10.914 3.226 1.00 0.80 H new ATOM 1616 N GLY A 109 10.163 9.232 7.632 1.00 0.15 N ATOM 1617 CA GLY A 109 9.956 9.096 9.053 1.00 0.17 C ATOM 1618 C GLY A 109 8.606 8.511 9.395 1.00 0.18 C ATOM 1619 O GLY A 109 8.227 8.467 10.565 1.00 0.28 O ATOM 0 H GLY A 109 10.506 8.391 7.168 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.738 8.462 9.470 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.053 10.074 9.525 1.00 0.17 H new ATOM 1623 N GLU A 110 7.871 8.062 8.386 1.00 0.13 N ATOM 1624 CA GLU A 110 6.569 7.490 8.624 1.00 0.13 C ATOM 1625 C GLU A 110 6.653 5.975 8.683 1.00 0.10 C ATOM 1626 O GLU A 110 7.679 5.377 8.341 1.00 0.12 O ATOM 1627 CB GLU A 110 5.549 7.915 7.558 1.00 0.17 C ATOM 1628 CG GLU A 110 5.617 7.146 6.254 1.00 0.20 C ATOM 1629 CD GLU A 110 4.252 6.979 5.618 1.00 0.27 C ATOM 1630 OE1 GLU A 110 3.481 6.100 6.052 1.00 0.39 O ATOM 1631 OE2 GLU A 110 3.930 7.744 4.689 1.00 0.41 O ATOM 0 H GLU A 110 8.157 8.086 7.407 1.00 0.13 H new ATOM 0 HA GLU A 110 6.224 7.870 9.586 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.547 7.806 7.973 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.692 8.974 7.344 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.278 7.666 5.561 1.00 0.20 H new ATOM 0 HG3 GLU A 110 6.054 6.164 6.435 1.00 0.20 H new ATOM 1638 N THR A 111 5.579 5.369 9.139 1.00 0.10 N ATOM 1639 CA THR A 111 5.452 3.938 9.132 1.00 0.11 C ATOM 1640 C THR A 111 4.141 3.587 8.463 1.00 0.11 C ATOM 1641 O THR A 111 3.070 3.984 8.930 1.00 0.12 O ATOM 1642 CB THR A 111 5.512 3.356 10.557 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.657 3.887 11.242 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.606 1.839 10.522 1.00 0.19 C ATOM 0 H THR A 111 4.772 5.859 9.524 1.00 0.10 H new ATOM 0 HA THR A 111 6.286 3.502 8.582 1.00 0.11 H new ATOM 0 HB THR A 111 4.598 3.635 11.082 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.695 3.519 12.149 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.647 1.453 11.541 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.731 1.432 10.015 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.507 1.543 9.985 1.00 0.19 H new ATOM 1652 N ALA A 112 4.230 2.885 7.352 1.00 0.12 N ATOM 1653 CA ALA A 112 3.074 2.609 6.541 1.00 0.13 C ATOM 1654 C ALA A 112 2.822 1.125 6.448 1.00 0.12 C ATOM 1655 O ALA A 112 3.731 0.349 6.178 1.00 0.13 O ATOM 1656 CB ALA A 112 3.270 3.189 5.162 1.00 0.18 C ATOM 0 H ALA A 112 5.101 2.495 6.992 1.00 0.12 H new ATOM 0 HA ALA A 112 2.205 3.072 7.008 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.393 2.978 4.551 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.409 4.267 5.237 1.00 0.18 H new ATOM 0 HB3 ALA A 112 4.150 2.741 4.701 1.00 0.18 H new ATOM 1662 N MET A 113 1.592 0.726 6.675 1.00 0.12 N ATOM 1663 CA MET A 113 1.214 -0.642 6.435 1.00 0.12 C ATOM 1664 C MET A 113 0.541 -0.710 5.085 1.00 0.12 C ATOM 1665 O MET A 113 -0.480 -0.060 4.859 1.00 0.14 O ATOM 1666 CB MET A 113 0.291 -1.175 7.532 1.00 0.16 C ATOM 1667 CG MET A 113 -0.286 -2.547 7.213 1.00 0.25 C ATOM 1668 SD MET A 113 -0.832 -3.439 8.680 1.00 0.53 S ATOM 1669 CE MET A 113 -2.172 -2.383 9.207 1.00 1.32 C ATOM 0 H MET A 113 0.844 1.325 7.023 1.00 0.12 H new ATOM 0 HA MET A 113 2.104 -1.272 6.446 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.844 -1.229 8.469 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.526 -0.470 7.685 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.128 -2.431 6.530 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.467 -3.140 6.693 1.00 0.25 H new ATOM 0 HE1 MET A 113 -2.681 -2.838 10.057 1.00 1.32 H new ATOM 0 HE2 MET A 113 -1.776 -1.410 9.499 1.00 1.32 H new ATOM 0 HE3 MET A 113 -2.879 -2.255 8.387 1.00 1.32 H new ATOM 1679 N VAL A 114 1.135 -1.456 4.187 1.00 0.12 N ATOM 1680 CA VAL A 114 0.649 -1.545 2.831 1.00 0.12 C ATOM 1681 C VAL A 114 0.046 -2.906 2.599 1.00 0.13 C ATOM 1682 O VAL A 114 0.600 -3.916 3.032 1.00 0.16 O ATOM 1683 CB VAL A 114 1.805 -1.358 1.835 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.318 -1.168 0.409 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.670 -0.205 2.270 1.00 0.17 C ATOM 0 H VAL A 114 1.966 -2.017 4.374 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.097 -0.765 2.682 1.00 0.12 H new ATOM 0 HB VAL A 114 2.397 -2.273 1.837 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.174 -1.040 -0.254 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.747 -2.043 0.100 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.683 -0.284 0.356 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.488 -0.076 1.561 1.00 0.17 H new ATOM 0 HG22 VAL A 114 2.072 0.706 2.304 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.077 -0.409 3.260 1.00 0.17 H new ATOM 1695 N THR A 115 -1.083 -2.951 1.934 1.00 0.14 N ATOM 1696 CA THR A 115 -1.597 -4.213 1.504 1.00 0.14 C ATOM 1697 C THR A 115 -1.490 -4.279 0.001 1.00 0.13 C ATOM 1698 O THR A 115 -2.136 -3.519 -0.723 1.00 0.16 O ATOM 1699 CB THR A 115 -3.043 -4.471 1.954 1.00 0.17 C ATOM 1700 OG1 THR A 115 -3.134 -4.389 3.378 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.474 -5.851 1.518 1.00 0.20 C ATOM 0 H THR A 115 -1.649 -2.140 1.686 1.00 0.14 H new ATOM 0 HA THR A 115 -1.002 -4.996 1.974 1.00 0.14 H new ATOM 0 HB THR A 115 -3.690 -3.719 1.501 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.720 -3.644 3.626 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.500 -6.030 1.839 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.416 -5.924 0.432 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.818 -6.596 1.968 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.640 -5.167 -0.445 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.374 -5.346 -1.851 1.00 0.13 C ATOM 1711 C ALA A 116 -0.659 -6.773 -2.233 1.00 0.12 C ATOM 1712 O ALA A 116 -0.235 -7.693 -1.533 1.00 0.13 O ATOM 1713 CB ALA A 116 1.072 -5.012 -2.158 1.00 0.15 C ATOM 0 H ALA A 116 -0.108 -5.792 0.161 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.016 -4.678 -2.425 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.259 -5.151 -3.223 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.271 -3.975 -1.887 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.727 -5.669 -1.585 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.393 -6.971 -3.316 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.569 -8.308 -3.855 1.00 0.13 C ATOM 1721 C ASP A 117 -0.202 -8.931 -4.058 1.00 0.11 C ATOM 1722 O ASP A 117 0.762 -8.225 -4.365 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.312 -8.283 -5.190 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.716 -9.674 -5.672 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.827 -10.471 -6.021 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.933 -9.980 -5.678 1.00 0.58 O ATOM 0 H ASP A 117 -1.871 -6.233 -3.833 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.163 -8.890 -3.151 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.204 -7.665 -5.092 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.680 -7.813 -5.943 1.00 0.16 H new ATOM 1731 N SER A 118 -0.115 -10.234 -3.876 1.00 0.13 N ATOM 1732 CA SER A 118 1.138 -10.952 -4.028 1.00 0.16 C ATOM 1733 C SER A 118 1.776 -10.635 -5.383 1.00 0.13 C ATOM 1734 O SER A 118 2.986 -10.681 -5.537 1.00 0.15 O ATOM 1735 CB SER A 118 0.887 -12.451 -3.885 1.00 0.27 C ATOM 1736 OG SER A 118 2.038 -13.125 -3.412 1.00 0.82 O ATOM 0 H SER A 118 -0.907 -10.824 -3.620 1.00 0.13 H new ATOM 0 HA SER A 118 1.831 -10.634 -3.249 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.058 -12.619 -3.198 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.591 -12.865 -4.849 1.00 0.27 H new ATOM 0 HG SER A 118 1.831 -14.074 -3.283 1.00 0.82 H new ATOM 1742 N LYS A 119 0.960 -10.284 -6.356 1.00 0.13 N ATOM 1743 CA LYS A 119 1.453 -9.870 -7.665 1.00 0.14 C ATOM 1744 C LYS A 119 2.469 -8.722 -7.561 1.00 0.14 C ATOM 1745 O LYS A 119 3.413 -8.654 -8.346 1.00 0.18 O ATOM 1746 CB LYS A 119 0.284 -9.450 -8.545 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.607 -8.420 -7.898 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.726 -7.985 -8.824 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.695 -9.119 -9.108 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.651 -8.769 -10.190 1.00 0.81 N ATOM 0 H LYS A 119 -0.056 -10.276 -6.269 1.00 0.13 H new ATOM 0 HA LYS A 119 1.966 -10.722 -8.111 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.669 -9.050 -9.483 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.310 -10.330 -8.794 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.032 -8.830 -6.982 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.012 -7.552 -7.613 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.265 -7.150 -8.376 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.303 -7.625 -9.762 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.137 -10.012 -9.390 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.247 -9.362 -8.200 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.296 -9.568 -10.355 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.201 -7.932 -9.910 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.126 -8.562 -11.064 1.00 0.81 H new ATOM 1764 N TYR A 120 2.285 -7.838 -6.581 1.00 0.13 N ATOM 1765 CA TYR A 120 3.214 -6.734 -6.359 1.00 0.15 C ATOM 1766 C TYR A 120 4.210 -7.107 -5.284 1.00 0.15 C ATOM 1767 O TYR A 120 5.062 -6.306 -4.893 1.00 0.19 O ATOM 1768 CB TYR A 120 2.461 -5.464 -5.955 1.00 0.16 C ATOM 1769 CG TYR A 120 1.537 -4.974 -7.028 1.00 0.20 C ATOM 1770 CD1 TYR A 120 2.014 -4.224 -8.092 1.00 0.28 C ATOM 1771 CD2 TYR A 120 0.178 -5.222 -6.949 1.00 0.23 C ATOM 1772 CE1 TYR A 120 1.161 -3.729 -9.049 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -0.686 -4.738 -7.908 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.151 -4.152 -9.063 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.048 -3.484 -9.899 1.00 0.42 O ATOM 0 H TYR A 120 1.501 -7.866 -5.929 1.00 0.13 H new ATOM 0 HA TYR A 120 3.746 -6.538 -7.290 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.888 -5.659 -5.049 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.180 -4.681 -5.715 1.00 0.16 H new ATOM 0 HD1 TYR A 120 3.073 -4.026 -8.170 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.211 -5.802 -6.125 1.00 0.23 H new ATOM 0 HE1 TYR A 120 1.514 -3.018 -9.781 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -1.755 -4.809 -7.772 1.00 0.30 H new ATOM 0 HH TYR A 120 -1.938 -3.885 -9.811 1.00 0.42 H new ATOM 1785 N CYS A 121 4.092 -8.336 -4.819 1.00 0.14 N ATOM 1786 CA CYS A 121 4.931 -8.849 -3.760 1.00 0.15 C ATOM 1787 C CYS A 121 5.679 -10.095 -4.230 1.00 0.16 C ATOM 1788 O CYS A 121 6.768 -9.984 -4.788 1.00 0.18 O ATOM 1789 CB CYS A 121 4.081 -9.151 -2.533 1.00 0.14 C ATOM 1790 SG CYS A 121 3.177 -7.719 -1.901 1.00 0.16 S ATOM 0 H CYS A 121 3.408 -9.007 -5.168 1.00 0.14 H new ATOM 0 HA CYS A 121 5.672 -8.096 -3.492 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.369 -9.938 -2.781 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.724 -9.540 -1.744 1.00 0.14 H new ATOM 0 HG CYS A 121 1.902 -7.972 -1.911 1.00 0.16 H new ATOM 1796 N TYR A 122 5.094 -11.283 -4.034 1.00 0.16 N ATOM 1797 CA TYR A 122 5.740 -12.512 -4.481 1.00 0.18 C ATOM 1798 C TYR A 122 4.728 -13.551 -4.985 1.00 0.18 C ATOM 1799 O TYR A 122 4.905 -14.730 -4.728 1.00 0.20 O ATOM 1800 CB TYR A 122 6.553 -13.139 -3.340 1.00 0.19 C ATOM 1801 CG TYR A 122 7.377 -12.162 -2.527 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.639 -11.763 -2.951 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.891 -11.635 -1.337 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.390 -10.874 -2.213 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.636 -10.746 -0.594 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.893 -10.368 -1.037 1.00 0.22 C ATOM 1807 OH TYR A 122 9.631 -9.475 -0.288 1.00 0.24 O ATOM 0 H TYR A 122 4.191 -11.414 -3.577 1.00 0.16 H new ATOM 0 HA TYR A 122 6.395 -12.234 -5.307 1.00 0.18 H new ATOM 0 HB2 TYR A 122 5.868 -13.659 -2.670 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.220 -13.891 -3.761 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.038 -12.156 -3.874 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.912 -11.928 -0.988 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.369 -10.575 -2.559 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.242 -10.346 0.329 1.00 0.20 H new ATOM 0 HH TYR A 122 9.550 -9.700 0.662 1.00 0.24 H new ATOM 1817 N GLY A 123 3.688 -13.124 -5.708 1.00 0.19 N ATOM 1818 CA GLY A 123 2.700 -14.059 -6.236 1.00 0.21 C ATOM 1819 C GLY A 123 3.304 -15.201 -7.033 1.00 0.21 C ATOM 1820 O GLY A 123 3.494 -16.297 -6.510 1.00 0.25 O ATOM 0 H GLY A 123 3.513 -12.146 -5.937 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.124 -14.471 -5.407 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.001 -13.515 -6.871 1.00 0.21 H new ATOM 1824 N PRO A 124 3.600 -14.989 -8.317 1.00 0.25 N ATOM 1825 CA PRO A 124 4.263 -15.992 -9.142 1.00 0.30 C ATOM 1826 C PRO A 124 5.768 -15.997 -8.903 1.00 0.30 C ATOM 1827 O PRO A 124 6.519 -16.673 -9.605 1.00 0.34 O ATOM 1828 CB PRO A 124 3.949 -15.548 -10.584 1.00 0.37 C ATOM 1829 CG PRO A 124 3.074 -14.336 -10.468 1.00 0.58 C ATOM 1830 CD PRO A 124 3.295 -13.783 -9.088 1.00 0.32 C ATOM 0 HA PRO A 124 3.921 -17.003 -8.921 1.00 0.30 H new ATOM 0 HB2 PRO A 124 4.865 -15.316 -11.128 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.444 -16.342 -11.134 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.331 -13.598 -11.228 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.027 -14.597 -10.618 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.115 -13.066 -9.063 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.411 -13.270 -8.709 1.00 0.32 H new ATOM 1838 N GLN A 125 6.196 -15.232 -7.903 1.00 0.27 N ATOM 1839 CA GLN A 125 7.610 -15.021 -7.642 1.00 0.30 C ATOM 1840 C GLN A 125 8.055 -15.831 -6.437 1.00 0.32 C ATOM 1841 O GLN A 125 9.030 -16.579 -6.497 1.00 0.39 O ATOM 1842 CB GLN A 125 7.860 -13.537 -7.404 1.00 0.30 C ATOM 1843 CG GLN A 125 7.240 -12.654 -8.471 1.00 0.33 C ATOM 1844 CD GLN A 125 7.285 -11.184 -8.110 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.238 -10.482 -8.437 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.243 -10.710 -7.442 1.00 0.29 N ATOM 0 H GLN A 125 5.575 -14.745 -7.257 1.00 0.27 H new ATOM 0 HA GLN A 125 8.188 -15.352 -8.505 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.458 -13.258 -6.430 1.00 0.30 H new ATOM 0 HB3 GLN A 125 8.934 -13.356 -7.369 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.764 -12.809 -9.414 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.204 -12.954 -8.628 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.473 -11.330 -7.191 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.211 -9.725 -7.179 1.00 0.29 H new ATOM 1855 N GLY A 126 7.309 -15.679 -5.351 1.00 0.27 N ATOM 1856 CA GLY A 126 7.628 -16.333 -4.109 1.00 0.27 C ATOM 1857 C GLY A 126 8.609 -15.543 -3.278 1.00 0.28 C ATOM 1858 O GLY A 126 9.532 -14.914 -3.801 1.00 0.30 O ATOM 0 H GLY A 126 6.471 -15.099 -5.316 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.713 -16.487 -3.537 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.044 -17.319 -4.317 1.00 0.27 H new ATOM 1862 N SER A 127 8.398 -15.577 -1.980 1.00 0.27 N ATOM 1863 CA SER A 127 9.185 -14.795 -1.051 1.00 0.28 C ATOM 1864 C SER A 127 10.400 -15.565 -0.534 1.00 0.32 C ATOM 1865 O SER A 127 10.465 -16.788 -0.650 1.00 0.33 O ATOM 1866 CB SER A 127 8.286 -14.326 0.104 1.00 0.27 C ATOM 1867 OG SER A 127 9.029 -13.912 1.234 1.00 0.30 O ATOM 0 H SER A 127 7.676 -16.147 -1.539 1.00 0.27 H new ATOM 0 HA SER A 127 9.578 -13.925 -1.578 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.661 -13.501 -0.238 1.00 0.27 H new ATOM 0 HB3 SER A 127 7.616 -15.136 0.391 1.00 0.27 H new ATOM 0 HG SER A 127 9.592 -13.147 0.993 1.00 0.30 H new ATOM 1873 N ARG A 128 11.360 -14.810 0.019 1.00 0.38 N ATOM 1874 CA ARG A 128 12.653 -15.344 0.448 1.00 0.42 C ATOM 1875 C ARG A 128 12.502 -16.542 1.384 1.00 0.42 C ATOM 1876 O ARG A 128 13.104 -17.583 1.152 1.00 0.52 O ATOM 1877 CB ARG A 128 13.498 -14.236 1.107 1.00 0.52 C ATOM 1878 CG ARG A 128 12.916 -13.683 2.405 1.00 1.12 C ATOM 1879 CD ARG A 128 13.778 -12.570 2.988 1.00 1.41 C ATOM 1880 NE ARG A 128 13.547 -11.274 2.339 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.110 -10.133 2.752 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.004 -10.147 3.729 1.00 2.45 N ATOM 1883 NH2 ARG A 128 13.796 -8.973 2.178 1.00 3.17 N ATOM 0 H ARG A 128 11.257 -13.808 0.180 1.00 0.38 H new ATOM 0 HA ARG A 128 13.171 -15.701 -0.442 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.495 -14.628 1.309 1.00 0.52 H new ATOM 0 HB3 ARG A 128 13.616 -13.416 0.398 1.00 0.52 H new ATOM 0 HG2 ARG A 128 11.911 -13.304 2.219 1.00 1.12 H new ATOM 0 HG3 ARG A 128 12.823 -14.489 3.133 1.00 1.12 H new ATOM 0 HD2 ARG A 128 13.573 -12.479 4.055 1.00 1.41 H new ATOM 0 HD3 ARG A 128 14.829 -12.840 2.887 1.00 1.41 H new ATOM 0 HE ARG A 128 12.925 -11.242 1.531 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.265 -11.030 4.169 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.432 -9.275 4.042 1.00 2.45 H new ATOM 0 HH21 ARG A 128 13.120 -8.948 1.415 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.232 -8.109 2.502 1.00 3.17 H new ATOM 1897 N SER A 129 11.704 -16.399 2.433 1.00 0.42 N ATOM 1898 CA SER A 129 11.451 -17.513 3.325 1.00 0.44 C ATOM 1899 C SER A 129 10.376 -18.428 2.741 1.00 0.41 C ATOM 1900 O SER A 129 10.662 -19.583 2.417 1.00 0.44 O ATOM 1901 CB SER A 129 11.075 -17.016 4.717 1.00 0.48 C ATOM 1902 OG SER A 129 12.062 -16.133 5.220 1.00 1.23 O ATOM 0 H SER A 129 11.228 -15.532 2.682 1.00 0.42 H new ATOM 0 HA SER A 129 12.366 -18.097 3.425 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.112 -16.508 4.679 1.00 0.48 H new ATOM 0 HB3 SER A 129 10.961 -17.864 5.392 1.00 0.48 H new ATOM 0 HG SER A 129 11.801 -15.825 6.113 1.00 1.23 H new ATOM 1908 N PRO A 130 9.123 -17.957 2.582 1.00 0.37 N ATOM 1909 CA PRO A 130 8.081 -18.731 1.958 1.00 0.36 C ATOM 1910 C PRO A 130 7.783 -18.241 0.552 1.00 0.32 C ATOM 1911 O PRO A 130 7.534 -17.061 0.348 1.00 0.27 O ATOM 1912 CB PRO A 130 6.878 -18.420 2.861 1.00 0.37 C ATOM 1913 CG PRO A 130 7.243 -17.153 3.597 1.00 0.37 C ATOM 1914 CD PRO A 130 8.557 -16.689 3.028 1.00 0.37 C ATOM 0 HA PRO A 130 8.335 -19.787 1.863 1.00 0.36 H new ATOM 0 HB2 PRO A 130 5.970 -18.285 2.273 1.00 0.37 H new ATOM 0 HB3 PRO A 130 6.688 -19.237 3.557 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.473 -16.393 3.465 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.328 -17.338 4.668 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.426 -15.983 2.208 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.181 -16.198 3.775 1.00 0.37 H new ATOM 1922 N TYR A 131 7.813 -19.124 -0.419 1.00 0.33 N ATOM 1923 CA TYR A 131 7.209 -18.825 -1.699 1.00 0.32 C ATOM 1924 C TYR A 131 5.749 -18.461 -1.459 1.00 0.30 C ATOM 1925 O TYR A 131 4.906 -19.338 -1.257 1.00 0.32 O ATOM 1926 CB TYR A 131 7.334 -20.021 -2.653 1.00 0.36 C ATOM 1927 CG TYR A 131 6.704 -19.811 -4.019 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.333 -19.960 -4.214 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.483 -19.467 -5.117 1.00 1.00 C ATOM 1930 CE1 TYR A 131 4.761 -19.770 -5.458 1.00 0.87 C ATOM 1931 CE2 TYR A 131 6.917 -19.274 -6.365 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.557 -19.425 -6.528 1.00 0.81 C ATOM 1933 OH TYR A 131 4.992 -19.234 -7.768 1.00 1.00 O ATOM 0 H TYR A 131 8.244 -20.046 -0.350 1.00 0.33 H new ATOM 0 HA TYR A 131 7.724 -17.988 -2.171 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.391 -20.253 -2.787 1.00 0.36 H new ATOM 0 HB3 TYR A 131 6.874 -20.891 -2.185 1.00 0.36 H new ATOM 0 HD1 TYR A 131 4.705 -20.229 -3.378 1.00 0.78 H new ATOM 0 HD2 TYR A 131 8.549 -19.348 -4.994 1.00 1.00 H new ATOM 0 HE1 TYR A 131 3.696 -19.891 -5.590 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.538 -19.006 -7.207 1.00 1.14 H new ATOM 0 HH TYR A 131 5.690 -18.994 -8.412 1.00 1.00 H new ATOM 1943 N ILE A 132 5.476 -17.165 -1.411 1.00 0.27 N ATOM 1944 CA ILE A 132 4.142 -16.684 -1.129 1.00 0.26 C ATOM 1945 C ILE A 132 3.201 -17.089 -2.260 1.00 0.25 C ATOM 1946 O ILE A 132 3.517 -16.876 -3.429 1.00 0.25 O ATOM 1947 CB ILE A 132 4.114 -15.147 -0.977 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.150 -14.644 0.026 1.00 0.39 C ATOM 1949 CG2 ILE A 132 2.734 -14.687 -0.562 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.096 -15.289 1.386 1.00 0.23 C ATOM 0 H ILE A 132 6.166 -16.430 -1.565 1.00 0.27 H new ATOM 0 HA ILE A 132 3.819 -17.130 -0.188 1.00 0.26 H new ATOM 0 HB ILE A 132 4.366 -14.725 -1.950 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.144 -14.802 -0.393 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.022 -13.568 0.147 1.00 0.39 H new ATOM 0 HG21 ILE A 132 2.728 -13.602 -0.458 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.009 -14.983 -1.320 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.470 -15.144 0.392 1.00 0.26 H new ATOM 0 HD11 ILE A 132 5.871 -14.862 2.022 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.119 -15.110 1.835 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.258 -16.362 1.286 1.00 0.23 H new ATOM 1962 N PRO A 133 2.054 -17.710 -1.929 1.00 0.27 N ATOM 1963 CA PRO A 133 1.056 -18.112 -2.925 1.00 0.28 C ATOM 1964 C PRO A 133 0.652 -16.956 -3.840 1.00 0.26 C ATOM 1965 O PRO A 133 0.501 -15.813 -3.390 1.00 0.26 O ATOM 1966 CB PRO A 133 -0.146 -18.573 -2.087 1.00 0.34 C ATOM 1967 CG PRO A 133 0.151 -18.159 -0.682 1.00 0.61 C ATOM 1968 CD PRO A 133 1.646 -18.086 -0.572 1.00 0.31 C ATOM 0 HA PRO A 133 1.444 -18.885 -3.588 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -1.069 -18.114 -2.442 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.279 -19.653 -2.156 1.00 0.34 H new ATOM 0 HG2 PRO A 133 -0.303 -17.194 -0.457 1.00 0.61 H new ATOM 0 HG3 PRO A 133 -0.257 -18.877 0.029 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.962 -17.347 0.165 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.076 -19.041 -0.270 1.00 0.31 H new ATOM 1976 N PRO A 134 0.495 -17.230 -5.146 1.00 0.27 N ATOM 1977 CA PRO A 134 0.095 -16.217 -6.118 1.00 0.25 C ATOM 1978 C PRO A 134 -1.231 -15.563 -5.763 1.00 0.27 C ATOM 1979 O PRO A 134 -2.219 -16.245 -5.497 1.00 0.32 O ATOM 1980 CB PRO A 134 -0.027 -16.988 -7.433 1.00 0.29 C ATOM 1981 CG PRO A 134 0.815 -18.202 -7.244 1.00 0.52 C ATOM 1982 CD PRO A 134 0.719 -18.542 -5.781 1.00 0.33 C ATOM 0 HA PRO A 134 0.816 -15.400 -6.160 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -1.063 -17.254 -7.640 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.323 -16.391 -8.275 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.458 -19.026 -7.862 1.00 0.52 H new ATOM 0 HG3 PRO A 134 1.848 -18.011 -7.534 1.00 0.52 H new ATOM 0 HD2 PRO A 134 -0.101 -19.232 -5.581 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.631 -19.016 -5.417 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.217 -14.234 -5.759 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.410 -13.417 -5.495 1.00 0.31 C ATOM 1992 C HIS A 135 -2.784 -13.399 -4.013 1.00 0.32 C ATOM 1993 O HIS A 135 -3.871 -12.954 -3.652 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.620 -13.882 -6.321 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.487 -13.657 -7.790 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.229 -14.670 -8.688 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -3.609 -12.529 -8.525 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.199 -14.174 -9.909 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -3.425 -12.877 -9.840 1.00 2.25 N ATOM 0 H HIS A 135 -0.377 -13.685 -5.939 1.00 0.26 H new ATOM 0 HA HIS A 135 -2.146 -12.403 -5.797 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.780 -14.945 -6.142 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.509 -13.361 -5.965 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -3.813 -11.538 -8.148 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.019 -14.736 -10.814 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -3.458 -12.237 -10.634 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.897 -13.878 -3.151 1.00 0.24 N ATOM 2009 CA ALA A 136 -2.127 -13.773 -1.716 1.00 0.24 C ATOM 2010 C ALA A 136 -1.863 -12.345 -1.270 1.00 0.21 C ATOM 2011 O ALA A 136 -0.802 -11.795 -1.545 1.00 0.22 O ATOM 2012 CB ALA A 136 -1.249 -14.746 -0.944 1.00 0.26 C ATOM 0 H ALA A 136 -1.025 -14.336 -3.414 1.00 0.24 H new ATOM 0 HA ALA A 136 -3.164 -14.034 -1.506 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.444 -14.644 0.124 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.473 -15.766 -1.258 1.00 0.26 H new ATOM 0 HB3 ALA A 136 -0.200 -14.527 -1.144 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.817 -11.745 -0.587 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.707 -10.339 -0.247 1.00 0.19 C ATOM 2020 C ALA A 137 -1.697 -10.141 0.876 1.00 0.16 C ATOM 2021 O ALA A 137 -1.907 -10.588 2.003 1.00 0.20 O ATOM 2022 CB ALA A 137 -4.068 -9.767 0.128 1.00 0.22 C ATOM 0 H ALA A 137 -3.668 -12.202 -0.259 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.349 -9.797 -1.122 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.962 -8.712 0.379 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.752 -9.873 -0.714 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.465 -10.307 0.988 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.594 -9.492 0.556 1.00 0.13 N ATOM 2029 CA LEU A 138 0.459 -9.250 1.521 1.00 0.12 C ATOM 2030 C LEU A 138 0.241 -7.934 2.244 1.00 0.13 C ATOM 2031 O LEU A 138 -0.032 -6.912 1.619 1.00 0.15 O ATOM 2032 CB LEU A 138 1.820 -9.243 0.833 1.00 0.13 C ATOM 2033 CG LEU A 138 2.750 -10.362 1.273 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.044 -11.695 1.144 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.029 -10.343 0.462 1.00 0.19 C ATOM 0 H LEU A 138 -0.404 -9.120 -0.375 1.00 0.13 H new ATOM 0 HA LEU A 138 0.434 -10.056 2.254 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.670 -9.314 -0.244 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.306 -8.286 1.025 1.00 0.13 H new ATOM 0 HG LEU A 138 3.018 -10.211 2.319 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.715 -12.494 1.460 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.154 -11.698 1.773 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.755 -11.854 0.105 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.681 -11.152 0.792 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.792 -10.476 -0.594 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.535 -9.388 0.603 1.00 0.19 H new ATOM 2047 N CYS A 139 0.364 -7.956 3.554 1.00 0.13 N ATOM 2048 CA CYS A 139 0.222 -6.753 4.342 1.00 0.14 C ATOM 2049 C CYS A 139 1.532 -6.476 5.064 1.00 0.13 C ATOM 2050 O CYS A 139 1.842 -7.085 6.088 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.916 -6.919 5.338 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.616 -5.367 5.942 1.00 1.20 S ATOM 0 H CYS A 139 0.563 -8.797 4.096 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.013 -5.909 3.693 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.709 -7.503 4.870 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.555 -7.496 6.190 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.315 -4.810 4.998 1.00 1.20 H new ATOM 2058 N LEU A 140 2.304 -5.566 4.513 1.00 0.13 N ATOM 2059 CA LEU A 140 3.651 -5.301 4.990 1.00 0.14 C ATOM 2060 C LEU A 140 3.743 -3.954 5.683 1.00 0.13 C ATOM 2061 O LEU A 140 3.180 -2.968 5.222 1.00 0.12 O ATOM 2062 CB LEU A 140 4.628 -5.360 3.823 1.00 0.17 C ATOM 2063 CG LEU A 140 4.274 -4.462 2.644 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.208 -3.263 2.612 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.342 -5.239 1.337 1.00 0.32 C ATOM 0 H LEU A 140 2.020 -4.987 3.722 1.00 0.13 H new ATOM 0 HA LEU A 140 3.909 -6.066 5.722 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.620 -5.087 4.184 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.689 -6.390 3.471 1.00 0.17 H new ATOM 0 HG LEU A 140 3.251 -4.105 2.766 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.951 -2.624 1.767 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.107 -2.698 3.539 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.237 -3.606 2.507 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.086 -4.579 0.508 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.352 -5.625 1.195 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.637 -6.070 1.371 1.00 0.32 H new ATOM 2077 N GLU A 141 4.434 -3.924 6.804 1.00 0.14 N ATOM 2078 CA GLU A 141 4.620 -2.695 7.544 1.00 0.13 C ATOM 2079 C GLU A 141 6.018 -2.153 7.271 1.00 0.12 C ATOM 2080 O GLU A 141 7.008 -2.830 7.546 1.00 0.15 O ATOM 2081 CB GLU A 141 4.426 -2.968 9.031 1.00 0.18 C ATOM 2082 CG GLU A 141 4.582 -1.752 9.925 1.00 0.26 C ATOM 2083 CD GLU A 141 4.594 -2.130 11.395 1.00 0.30 C ATOM 2084 OE1 GLU A 141 3.875 -3.087 11.769 1.00 1.00 O ATOM 2085 OE2 GLU A 141 5.340 -1.498 12.167 1.00 1.05 O ATOM 0 H GLU A 141 4.878 -4.741 7.223 1.00 0.14 H new ATOM 0 HA GLU A 141 3.889 -1.951 7.229 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.432 -3.388 9.183 1.00 0.18 H new ATOM 0 HB3 GLU A 141 5.144 -3.726 9.344 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.508 -1.234 9.675 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.766 -1.055 9.736 1.00 0.26 H new ATOM 2092 N VAL A 142 6.102 -0.963 6.697 1.00 0.12 N ATOM 2093 CA VAL A 142 7.389 -0.371 6.368 1.00 0.12 C ATOM 2094 C VAL A 142 7.622 0.962 7.083 1.00 0.12 C ATOM 2095 O VAL A 142 6.823 1.894 6.981 1.00 0.15 O ATOM 2096 CB VAL A 142 7.567 -0.177 4.847 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.870 -1.510 4.181 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.333 0.463 4.226 1.00 0.19 C ATOM 0 H VAL A 142 5.296 -0.389 6.450 1.00 0.12 H new ATOM 0 HA VAL A 142 8.135 -1.083 6.721 1.00 0.12 H new ATOM 0 HB VAL A 142 8.408 0.497 4.685 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.994 -1.361 3.108 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.788 -1.925 4.598 1.00 0.19 H new ATOM 0 HG13 VAL A 142 7.046 -2.201 4.359 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.488 0.587 3.154 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.467 -0.177 4.396 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.160 1.437 4.683 1.00 0.19 H new ATOM 2108 N THR A 143 8.713 1.029 7.828 1.00 0.13 N ATOM 2109 CA THR A 143 9.183 2.280 8.398 1.00 0.13 C ATOM 2110 C THR A 143 10.184 2.918 7.454 1.00 0.12 C ATOM 2111 O THR A 143 11.219 2.325 7.157 1.00 0.15 O ATOM 2112 CB THR A 143 9.873 2.062 9.763 1.00 0.17 C ATOM 2113 OG1 THR A 143 8.998 1.355 10.654 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.284 3.391 10.384 1.00 0.22 C ATOM 0 H THR A 143 9.295 0.222 8.054 1.00 0.13 H new ATOM 0 HA THR A 143 8.316 2.924 8.543 1.00 0.13 H new ATOM 0 HB THR A 143 10.771 1.467 9.597 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.446 1.221 11.515 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.767 3.210 11.344 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.979 3.904 9.719 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.400 4.011 10.534 1.00 0.22 H new ATOM 2122 N LEU A 144 9.876 4.106 6.962 1.00 0.13 N ATOM 2123 CA LEU A 144 10.829 4.830 6.147 1.00 0.12 C ATOM 2124 C LEU A 144 11.817 5.514 7.060 1.00 0.12 C ATOM 2125 O LEU A 144 11.547 6.577 7.623 1.00 0.14 O ATOM 2126 CB LEU A 144 10.139 5.834 5.227 1.00 0.14 C ATOM 2127 CG LEU A 144 11.078 6.599 4.293 1.00 0.12 C ATOM 2128 CD1 LEU A 144 11.925 5.637 3.473 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.281 7.502 3.372 1.00 0.13 C ATOM 0 H LEU A 144 8.986 4.582 7.111 1.00 0.13 H new ATOM 0 HA LEU A 144 11.352 4.128 5.498 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.401 5.305 4.624 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.594 6.552 5.840 1.00 0.14 H new ATOM 0 HG LEU A 144 11.742 7.211 4.903 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.585 6.203 2.816 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.523 5.018 4.142 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.275 5.000 2.873 1.00 0.15 H new ATOM 0 HD21 LEU A 144 10.961 8.041 2.712 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.597 6.900 2.774 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.711 8.216 3.966 1.00 0.13 H new ATOM 2141 N LYS A 145 12.957 4.876 7.204 1.00 0.14 N ATOM 2142 CA LYS A 145 13.927 5.241 8.211 1.00 0.17 C ATOM 2143 C LYS A 145 14.740 6.441 7.751 1.00 0.16 C ATOM 2144 O LYS A 145 14.980 7.378 8.515 1.00 0.21 O ATOM 2145 CB LYS A 145 14.847 4.046 8.483 1.00 0.26 C ATOM 2146 CG LYS A 145 14.165 2.695 8.280 1.00 0.40 C ATOM 2147 CD LYS A 145 15.101 1.531 8.566 1.00 0.60 C ATOM 2148 CE LYS A 145 15.596 1.598 9.986 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.436 0.434 10.369 1.00 1.08 N ATOM 0 H LYS A 145 13.238 4.086 6.623 1.00 0.14 H new ATOM 0 HA LYS A 145 13.408 5.513 9.130 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.715 4.109 7.826 1.00 0.26 H new ATOM 0 HB3 LYS A 145 15.217 4.108 9.507 1.00 0.26 H new ATOM 0 HG2 LYS A 145 13.294 2.628 8.932 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.802 2.624 7.255 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.581 0.588 8.399 1.00 0.60 H new ATOM 0 HD3 LYS A 145 15.945 1.556 7.877 1.00 0.60 H new ATOM 0 HE2 LYS A 145 16.172 2.513 10.120 1.00 0.38 H new ATOM 0 HE3 LYS A 145 14.741 1.658 10.659 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 16.801 0.571 11.333 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 15.863 -0.433 10.336 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 17.233 0.348 9.706 1.00 1.08 H new ATOM 2163 N THR A 146 15.168 6.406 6.496 1.00 0.16 N ATOM 2164 CA THR A 146 15.985 7.469 5.942 1.00 0.19 C ATOM 2165 C THR A 146 15.897 7.473 4.422 1.00 0.17 C ATOM 2166 O THR A 146 15.522 6.471 3.812 1.00 0.16 O ATOM 2167 CB THR A 146 17.475 7.293 6.324 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.604 6.904 7.698 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.256 8.581 6.099 1.00 0.37 C ATOM 0 H THR A 146 14.961 5.650 5.844 1.00 0.16 H new ATOM 0 HA THR A 146 15.606 8.405 6.352 1.00 0.19 H new ATOM 0 HB THR A 146 17.884 6.511 5.684 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.552 6.796 7.920 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.299 8.427 6.376 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.197 8.863 5.048 1.00 0.37 H new ATOM 0 HG23 THR A 146 17.831 9.376 6.712 1.00 0.37 H new ATOM 2177 N ALA A 147 16.242 8.601 3.822 1.00 0.20 N ATOM 2178 CA ALA A 147 16.409 8.688 2.388 1.00 0.19 C ATOM 2179 C ALA A 147 17.651 9.501 2.080 1.00 0.22 C ATOM 2180 O ALA A 147 17.811 10.603 2.601 1.00 0.25 O ATOM 2181 CB ALA A 147 15.183 9.321 1.750 1.00 0.21 C ATOM 0 H ALA A 147 16.413 9.476 4.317 1.00 0.20 H new ATOM 0 HA ALA A 147 16.524 7.686 1.974 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.324 9.380 0.671 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.305 8.714 1.969 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.040 10.324 2.152 1.00 0.21 H new ATOM 2187 N VAL A 148 18.540 8.960 1.257 1.00 0.24 N ATOM 2188 CA VAL A 148 19.752 9.678 0.895 1.00 0.31 C ATOM 2189 C VAL A 148 19.879 9.757 -0.617 1.00 0.34 C ATOM 2190 O VAL A 148 19.562 8.806 -1.329 1.00 0.36 O ATOM 2191 CB VAL A 148 21.027 9.036 1.505 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.904 8.946 3.020 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.302 7.660 0.913 1.00 0.75 C ATOM 0 H VAL A 148 18.446 8.037 0.833 1.00 0.24 H new ATOM 0 HA VAL A 148 19.668 10.682 1.310 1.00 0.31 H new ATOM 0 HB VAL A 148 21.871 9.679 1.255 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.806 8.494 3.432 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.778 9.946 3.435 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.040 8.334 3.279 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.202 7.243 1.365 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.457 7.002 1.114 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.444 7.749 -0.164 1.00 0.75 H new