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= 0.662 K(o=0.59,f=-2.7!) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 127 SER OG : rot 80:sc= -0.0719 USER MOD Set 2.1: A 115 THR OG1 : rot 115:sc= 1.08 USER MOD Set 2.2: A 139 CYS SG : rot 180:sc= -0.694 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= -0.337 USER MOD Set 3.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 93 CYS SG : rot -94:sc= 0.441 USER MOD Set 4.2: A 97 GLN : amide:sc= -0.638 K(o=-0.2,f=0.56) USER MOD Set 5.1: A 69 HIS : no HE2:sc= -7.58! C(o=-15!,f=-12!) USER MOD Set 5.2: A 71 GLN : amide:sc= -7.07! K(o=-15!,f=-9.2) USER MOD Set 6.1: A 67 THR OG1 : rot 170:sc= -2.19! USER MOD Set 6.2: A 146 THR OG1 : rot 180:sc= -0.231 USER MOD Set 7.1: A 42 ASN : amide:sc= -3.52! C(o=-2.3!,f=-4.7!) USER MOD Set 7.2: A 120 TYR OH : rot -138:sc= 1.21 USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -1.87! (180deg=-2.23!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 45:sc= 0.33 USER MOD Single : A 57 SER OG : rot 91:sc= 1.18 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -133:sc= -0.279 (180deg=-3.27!) USER MOD Single : A 64 GLN : amide:sc= -6.39! K(o=-6.4!,f=-0.68) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 73 SER OG : rot -69:sc= 0.00642 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 80:sc= 0.578 USER MOD Single : A 102 SER OG : rot -130:sc= -0.647 USER MOD Single : A 106 MET CE :methyl -118:sc= -2.98! (180deg=-4.77!) USER MOD Single : A 113 MET CE :methyl 164:sc= -0.181 (180deg=-0.378) USER MOD Single : A 118 SER OG : rot 177:sc= -0.0298 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 80:sc= -1.04 USER MOD Single : A 125 GLN : amide:sc= -0.853 X(o=-0.85,f=-1.2) 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= -0.038 X(o=-0.038,f=0) USER MOD Single : A 145 LYS NZ :NH3+ -145:sc= 2.26 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.627 1.147 2.276 1.00 0.53 N ATOM 490 CA TRP A 36 -7.033 2.474 2.306 1.00 0.45 C ATOM 491 C TRP A 36 -6.876 3.025 0.891 1.00 0.46 C ATOM 492 O TRP A 36 -7.566 2.593 -0.035 1.00 0.52 O ATOM 493 CB TRP A 36 -5.664 2.402 2.984 1.00 0.38 C ATOM 494 CG TRP A 36 -5.605 1.370 4.065 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.392 1.305 5.177 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.718 0.248 4.132 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.055 0.206 5.925 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.029 -0.457 5.312 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.689 -0.231 3.317 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.352 -1.614 5.687 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -3.028 -1.371 3.691 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.353 -2.054 4.863 1.00 0.19 C ATOM 0 HA TRP A 36 -7.689 3.140 2.867 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.904 2.180 2.235 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.421 3.377 3.406 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.166 2.014 5.431 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.499 -0.072 6.800 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.420 0.288 2.409 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.606 -2.144 6.593 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.236 -1.750 3.063 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.805 -2.947 5.125 1.00 0.19 H new ATOM 513 N LEU A 37 -5.957 3.971 0.743 1.00 0.43 N ATOM 514 CA LEU A 37 -5.647 4.579 -0.548 1.00 0.42 C ATOM 515 C LEU A 37 -4.938 3.580 -1.448 1.00 0.37 C ATOM 516 O LEU A 37 -3.853 3.106 -1.109 1.00 0.35 O ATOM 517 CB LEU A 37 -4.737 5.792 -0.336 1.00 0.45 C ATOM 518 CG LEU A 37 -4.286 6.514 -1.606 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.462 7.195 -2.282 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.195 7.523 -1.281 1.00 0.50 C ATOM 0 H LEU A 37 -5.403 4.340 1.516 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.579 4.888 -1.021 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.258 6.507 0.300 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.851 5.467 0.209 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.879 5.776 -2.297 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.119 7.703 -3.184 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.211 6.449 -2.548 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.902 7.923 -1.600 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.884 8.029 -2.195 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.578 8.257 -0.572 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.341 7.007 -0.843 1.00 0.50 H new ATOM 532 N ASP A 38 -5.545 3.249 -2.582 1.00 0.38 N ATOM 533 CA ASP A 38 -4.913 2.338 -3.518 1.00 0.41 C ATOM 534 C ASP A 38 -3.896 3.075 -4.367 1.00 0.39 C ATOM 535 O ASP A 38 -4.190 4.111 -4.962 1.00 0.44 O ATOM 536 CB ASP A 38 -5.923 1.624 -4.410 1.00 0.56 C ATOM 537 CG ASP A 38 -5.309 0.397 -5.053 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.660 0.531 -6.104 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.464 -0.713 -4.514 1.00 2.51 O ATOM 0 H ASP A 38 -6.461 3.594 -2.869 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.408 1.574 -2.927 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.792 1.333 -3.820 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.276 2.306 -5.184 1.00 0.56 H new ATOM 544 N ILE A 39 -2.706 2.512 -4.417 1.00 0.38 N ATOM 545 CA ILE A 39 -1.579 3.104 -5.109 1.00 0.38 C ATOM 546 C ILE A 39 -1.829 3.165 -6.615 1.00 0.39 C ATOM 547 O ILE A 39 -1.274 4.009 -7.320 1.00 0.46 O ATOM 548 CB ILE A 39 -0.298 2.296 -4.805 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.101 2.197 -3.282 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.917 2.909 -5.487 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.307 1.822 -2.859 1.00 0.43 C ATOM 0 H ILE A 39 -2.492 1.619 -3.973 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.450 4.126 -4.752 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.411 1.290 -5.208 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.361 3.154 -2.831 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.797 1.458 -2.884 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.802 2.317 -5.254 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.762 2.920 -6.566 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.058 3.929 -5.131 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.360 1.774 -1.771 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.566 0.850 -3.278 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.008 2.573 -3.223 1.00 0.43 H new ATOM 563 N LEU A 40 -2.687 2.277 -7.098 1.00 0.39 N ATOM 564 CA LEU A 40 -3.041 2.254 -8.511 1.00 0.49 C ATOM 565 C LEU A 40 -4.541 2.457 -8.688 1.00 0.49 C ATOM 566 O LEU A 40 -5.055 2.468 -9.810 1.00 0.62 O ATOM 567 CB LEU A 40 -2.613 0.931 -9.149 1.00 0.56 C ATOM 568 CG LEU A 40 -1.122 0.603 -9.046 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.831 -0.726 -9.717 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.285 1.704 -9.676 1.00 0.72 C ATOM 0 H LEU A 40 -3.150 1.564 -6.534 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.515 3.069 -9.008 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.178 0.123 -8.683 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.892 0.949 -10.203 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.857 0.531 -7.991 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.233 -0.949 -9.637 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.404 -1.514 -9.228 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.113 -0.672 -10.769 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.772 1.451 -9.592 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.551 1.806 -10.728 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.475 2.645 -9.160 1.00 0.72 H new ATOM 582 N GLY A 41 -5.229 2.627 -7.567 1.00 0.43 N ATOM 583 CA GLY A 41 -6.674 2.718 -7.566 1.00 0.51 C ATOM 584 C GLY A 41 -7.332 1.440 -8.053 1.00 0.45 C ATOM 585 O GLY A 41 -8.483 1.455 -8.490 1.00 0.52 O ATOM 0 H GLY A 41 -4.802 2.704 -6.644 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -7.021 2.941 -6.557 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.984 3.548 -8.201 1.00 0.51 H new ATOM 589 N ASN A 42 -6.606 0.327 -7.964 1.00 0.39 N ATOM 590 CA ASN A 42 -7.112 -0.946 -8.472 1.00 0.42 C ATOM 591 C ASN A 42 -7.803 -1.769 -7.381 1.00 0.43 C ATOM 592 O ASN A 42 -8.708 -2.551 -7.670 1.00 0.56 O ATOM 593 CB ASN A 42 -6.009 -1.761 -9.183 1.00 0.49 C ATOM 594 CG ASN A 42 -5.013 -2.492 -8.280 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.554 -3.579 -8.623 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.631 -1.917 -7.155 1.00 0.44 N ATOM 0 H ASN A 42 -5.675 0.280 -7.549 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.869 -0.705 -9.218 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.490 -2.497 -9.827 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.450 -1.086 -9.832 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.945 -2.375 -6.555 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -5.022 -1.014 -6.885 1.00 0.44 H new ATOM 603 N GLY A 43 -7.391 -1.586 -6.137 1.00 0.40 N ATOM 604 CA GLY A 43 -8.061 -2.243 -5.026 1.00 0.50 C ATOM 605 C GLY A 43 -7.218 -3.345 -4.426 1.00 0.45 C ATOM 606 O GLY A 43 -7.612 -3.986 -3.454 1.00 0.72 O ATOM 0 H GLY A 43 -6.604 -0.994 -5.872 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.295 -1.506 -4.257 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -9.009 -2.658 -5.369 1.00 0.50 H new ATOM 610 N LEU A 44 -6.047 -3.547 -5.002 1.00 0.29 N ATOM 611 CA LEU A 44 -5.159 -4.625 -4.590 1.00 0.36 C ATOM 612 C LEU A 44 -3.984 -4.093 -3.788 1.00 0.25 C ATOM 613 O LEU A 44 -3.451 -4.775 -2.917 1.00 0.27 O ATOM 614 CB LEU A 44 -4.626 -5.369 -5.821 1.00 0.60 C ATOM 615 CG LEU A 44 -5.614 -6.303 -6.521 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.748 -5.533 -7.186 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.899 -7.171 -7.537 1.00 1.56 C ATOM 0 H LEU A 44 -5.684 -2.974 -5.764 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.734 -5.306 -3.963 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.279 -4.631 -6.545 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.756 -5.953 -5.519 1.00 0.60 H new ATOM 0 HG LEU A 44 -6.054 -6.943 -5.756 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.427 -6.233 -7.672 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -7.292 -4.963 -6.433 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.337 -4.851 -7.930 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.619 -7.829 -8.024 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.422 -6.538 -8.285 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -4.142 -7.772 -7.033 1.00 1.56 H new ATOM 629 N LEU A 45 -3.577 -2.880 -4.116 1.00 0.23 N ATOM 630 CA LEU A 45 -2.355 -2.286 -3.589 1.00 0.22 C ATOM 631 C LEU A 45 -2.640 -0.966 -2.865 1.00 0.22 C ATOM 632 O LEU A 45 -2.809 0.062 -3.502 1.00 0.32 O ATOM 633 CB LEU A 45 -1.394 -2.099 -4.764 1.00 0.30 C ATOM 634 CG LEU A 45 -0.209 -1.169 -4.549 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.638 -1.618 -3.375 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.621 -1.120 -5.815 1.00 0.31 C ATOM 0 H LEU A 45 -4.086 -2.273 -4.759 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.905 -2.940 -2.842 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.008 -3.079 -5.045 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.967 -1.726 -5.613 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.583 -0.172 -4.318 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.476 -0.933 -3.248 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.032 -1.622 -2.469 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.016 -2.623 -3.562 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.472 -0.455 -5.667 1.00 0.31 H new ATOM 0 HD22 LEU A 45 0.980 -2.121 -6.054 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.009 -0.749 -6.637 1.00 0.31 H new ATOM 648 N ARG A 46 -2.676 -0.992 -1.535 1.00 0.20 N ATOM 649 CA ARG A 46 -3.077 0.185 -0.759 1.00 0.22 C ATOM 650 C ARG A 46 -2.131 0.464 0.400 1.00 0.19 C ATOM 651 O ARG A 46 -1.689 -0.455 1.076 1.00 0.19 O ATOM 652 CB ARG A 46 -4.490 -0.018 -0.230 1.00 0.25 C ATOM 653 CG ARG A 46 -5.514 -0.008 -1.339 1.00 0.36 C ATOM 654 CD ARG A 46 -6.854 -0.553 -0.896 1.00 0.37 C ATOM 655 NE ARG A 46 -6.764 -1.957 -0.498 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.812 -2.770 -0.383 1.00 0.75 C ATOM 657 NH1 ARG A 46 -9.022 -2.344 -0.725 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.644 -4.010 0.054 1.00 0.99 N ATOM 0 H ARG A 46 -2.435 -1.808 -0.973 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.039 1.048 -1.423 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.544 -0.966 0.305 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.725 0.768 0.488 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.642 1.012 -1.701 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.144 -0.600 -2.176 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.229 0.038 -0.061 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.574 -0.451 -1.708 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.840 -2.338 -0.296 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.148 -1.394 -1.076 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.825 -2.966 -0.637 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.712 -4.341 0.302 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.447 -4.633 0.142 1.00 0.99 H new ATOM 672 N LYS A 47 -1.862 1.742 0.639 1.00 0.20 N ATOM 673 CA LYS A 47 -0.919 2.163 1.671 1.00 0.17 C ATOM 674 C LYS A 47 -1.642 2.924 2.785 1.00 0.18 C ATOM 675 O LYS A 47 -2.355 3.894 2.513 1.00 0.22 O ATOM 676 CB LYS A 47 0.139 3.076 1.042 1.00 0.23 C ATOM 677 CG LYS A 47 1.385 3.246 1.890 1.00 0.25 C ATOM 678 CD LYS A 47 2.081 4.564 1.619 1.00 0.32 C ATOM 679 CE LYS A 47 1.387 5.715 2.346 1.00 0.20 C ATOM 680 NZ LYS A 47 2.332 6.805 2.729 1.00 0.35 N ATOM 0 H LYS A 47 -2.289 2.514 0.126 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.448 1.278 2.099 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.424 2.670 0.071 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.302 4.056 0.861 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.116 3.188 2.945 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.074 2.425 1.691 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.121 4.502 1.940 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.090 4.760 0.547 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.605 6.125 1.707 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.898 5.332 3.242 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.793 7.641 3.031 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.937 6.481 3.511 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.926 7.053 1.912 1.00 0.35 H new ATOM 694 N LYS A 48 -1.469 2.489 4.032 1.00 0.16 N ATOM 695 CA LYS A 48 -2.032 3.215 5.169 1.00 0.18 C ATOM 696 C LYS A 48 -0.932 3.831 6.017 1.00 0.17 C ATOM 697 O LYS A 48 -0.002 3.142 6.433 1.00 0.22 O ATOM 698 CB LYS A 48 -2.897 2.312 6.055 1.00 0.25 C ATOM 699 CG LYS A 48 -3.511 3.061 7.228 1.00 0.32 C ATOM 700 CD LYS A 48 -4.493 2.215 8.023 1.00 0.69 C ATOM 701 CE LYS A 48 -3.807 1.103 8.805 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.734 0.498 9.801 1.00 1.07 N ATOM 0 H LYS A 48 -0.949 1.647 4.279 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.662 4.002 4.754 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.692 1.872 5.453 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.290 1.489 6.432 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.716 3.403 7.890 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.022 3.950 6.857 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -5.042 2.855 8.714 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.224 1.778 7.343 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -3.455 0.334 8.117 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -2.929 1.501 9.315 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -4.241 -0.257 10.320 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -5.050 1.229 10.470 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.559 0.099 9.310 1.00 1.07 H new ATOM 716 N THR A 49 -1.056 5.118 6.289 1.00 0.18 N ATOM 717 CA THR A 49 -0.112 5.815 7.141 1.00 0.20 C ATOM 718 C THR A 49 -0.473 5.631 8.607 1.00 0.21 C ATOM 719 O THR A 49 -1.431 6.234 9.098 1.00 0.29 O ATOM 720 CB THR A 49 -0.081 7.322 6.822 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.419 7.836 6.757 1.00 0.33 O ATOM 722 CG2 THR A 49 0.636 7.586 5.509 1.00 0.25 C ATOM 0 H THR A 49 -1.808 5.705 5.928 1.00 0.18 H new ATOM 0 HA THR A 49 0.872 5.388 6.949 1.00 0.20 H new ATOM 0 HB THR A 49 0.464 7.828 7.619 1.00 0.25 H new ATOM 0 HG1 THR A 49 -1.938 7.495 7.516 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.644 8.657 5.308 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.661 7.222 5.575 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.118 7.069 4.701 1.00 0.25 H new ATOM 730 N LEU A 50 0.268 4.776 9.292 1.00 0.18 N ATOM 731 CA LEU A 50 0.152 4.671 10.738 1.00 0.21 C ATOM 732 C LEU A 50 0.622 5.992 11.313 1.00 0.23 C ATOM 733 O LEU A 50 -0.061 6.651 12.100 1.00 0.28 O ATOM 734 CB LEU A 50 1.041 3.539 11.251 1.00 0.21 C ATOM 735 CG LEU A 50 1.041 2.275 10.393 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.227 1.397 10.751 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.257 1.511 10.561 1.00 0.24 C ATOM 0 H LEU A 50 0.953 4.147 8.873 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.875 4.456 11.033 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.064 3.908 11.327 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.721 3.275 12.259 1.00 0.21 H new ATOM 0 HG LEU A 50 1.128 2.569 9.347 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.215 0.500 10.132 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.152 1.946 10.576 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.166 1.114 11.802 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.235 0.615 9.941 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.379 1.226 11.606 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.092 2.142 10.257 1.00 0.24 H new ATOM 749 N VAL A 51 1.813 6.351 10.885 1.00 0.23 N ATOM 750 CA VAL A 51 2.367 7.674 11.066 1.00 0.27 C ATOM 751 C VAL A 51 2.902 8.092 9.727 1.00 0.24 C ATOM 752 O VAL A 51 3.558 7.291 9.081 1.00 0.23 O ATOM 753 CB VAL A 51 3.528 7.681 12.065 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.138 9.071 12.202 1.00 0.36 C ATOM 755 CG2 VAL A 51 3.071 7.164 13.410 1.00 0.36 C ATOM 0 H VAL A 51 2.438 5.715 10.389 1.00 0.23 H new ATOM 0 HA VAL A 51 1.596 8.341 11.451 1.00 0.27 H new ATOM 0 HB VAL A 51 4.303 7.017 11.681 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.959 9.039 12.919 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.514 9.400 11.233 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.378 9.769 12.552 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.908 7.176 14.108 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.272 7.799 13.792 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.703 6.144 13.302 1.00 0.36 H new ATOM 765 N PRO A 52 2.595 9.296 9.260 1.00 0.29 N ATOM 766 CA PRO A 52 3.090 9.799 8.001 1.00 0.32 C ATOM 767 C PRO A 52 4.199 10.830 8.166 1.00 0.34 C ATOM 768 O PRO A 52 4.135 11.937 7.624 1.00 0.54 O ATOM 769 CB PRO A 52 1.826 10.408 7.451 1.00 0.41 C ATOM 770 CG PRO A 52 1.122 10.982 8.650 1.00 0.46 C ATOM 771 CD PRO A 52 1.678 10.264 9.865 1.00 0.37 C ATOM 0 HA PRO A 52 3.557 9.045 7.367 1.00 0.32 H new ATOM 0 HB2 PRO A 52 2.047 11.181 6.715 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.211 9.659 6.952 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.294 12.056 8.723 1.00 0.46 H new ATOM 0 HG3 PRO A 52 0.045 10.836 8.573 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.194 10.946 10.540 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.894 9.775 10.443 1.00 0.37 H new ATOM 779 N GLY A 53 5.221 10.437 8.911 1.00 0.24 N ATOM 780 CA GLY A 53 6.368 11.286 9.132 1.00 0.28 C ATOM 781 C GLY A 53 6.097 12.390 10.132 1.00 0.29 C ATOM 782 O GLY A 53 4.956 12.587 10.553 1.00 0.55 O ATOM 0 H GLY A 53 5.273 9.529 9.373 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.201 10.679 9.485 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.675 11.728 8.184 1.00 0.28 H new ATOM 821 N SER A 57 7.668 16.671 6.575 1.00 0.52 N ATOM 822 CA SER A 57 8.501 15.562 6.161 1.00 0.40 C ATOM 823 C SER A 57 9.067 15.768 4.764 1.00 0.34 C ATOM 824 O SER A 57 8.683 16.691 4.042 1.00 0.43 O ATOM 825 CB SER A 57 7.668 14.290 6.191 1.00 0.40 C ATOM 826 OG SER A 57 6.298 14.590 5.969 1.00 0.99 O ATOM 0 HA SER A 57 9.344 15.489 6.848 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.023 13.597 5.428 1.00 0.40 H new ATOM 0 HB3 SER A 57 7.787 13.793 7.154 1.00 0.40 H new ATOM 0 HG SER A 57 6.103 14.538 5.010 1.00 0.99 H new ATOM 832 N SER A 58 9.982 14.893 4.391 1.00 0.28 N ATOM 833 CA SER A 58 10.543 14.888 3.056 1.00 0.30 C ATOM 834 C SER A 58 10.178 13.581 2.374 1.00 0.27 C ATOM 835 O SER A 58 10.278 12.523 2.978 1.00 0.38 O ATOM 836 CB SER A 58 12.061 15.024 3.125 1.00 0.38 C ATOM 837 OG SER A 58 12.441 16.219 3.796 1.00 1.28 O ATOM 0 H SER A 58 10.355 14.168 5.004 1.00 0.28 H new ATOM 0 HA SER A 58 10.141 15.728 2.489 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.483 14.163 3.644 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.475 15.023 2.117 1.00 0.38 H new ATOM 0 HG SER A 58 13.419 16.280 3.827 1.00 1.28 H new ATOM 843 N ARG A 59 9.722 13.645 1.146 1.00 0.32 N ATOM 844 CA ARG A 59 9.409 12.435 0.407 1.00 0.30 C ATOM 845 C ARG A 59 10.546 12.080 -0.539 1.00 0.27 C ATOM 846 O ARG A 59 10.857 12.831 -1.466 1.00 0.34 O ATOM 847 CB ARG A 59 8.090 12.598 -0.336 1.00 0.42 C ATOM 848 CG ARG A 59 6.893 12.556 0.591 1.00 0.64 C ATOM 849 CD ARG A 59 5.587 12.780 -0.147 1.00 0.68 C ATOM 850 NE ARG A 59 4.462 12.824 0.780 1.00 1.41 N ATOM 851 CZ ARG A 59 3.371 13.560 0.614 1.00 1.81 C ATOM 852 NH1 ARG A 59 3.240 14.340 -0.451 1.00 1.78 N ATOM 853 NH2 ARG A 59 2.429 13.543 1.545 1.00 2.81 N ATOM 0 H ARG A 59 9.559 14.513 0.636 1.00 0.32 H new ATOM 0 HA ARG A 59 9.296 11.609 1.109 1.00 0.30 H new ATOM 0 HB2 ARG A 59 8.095 13.545 -0.875 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.996 11.808 -1.081 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.861 11.591 1.097 1.00 0.64 H new ATOM 0 HG3 ARG A 59 7.007 13.317 1.363 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.638 13.714 -0.707 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.434 11.981 -0.872 1.00 0.68 H new ATOM 0 HE ARG A 59 4.518 12.246 1.618 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.982 14.377 -1.150 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.398 14.903 -0.571 1.00 1.78 H new ATOM 0 HH21 ARG A 59 2.547 12.968 2.379 1.00 2.81 H new ATOM 0 HH22 ARG A 59 1.586 14.105 1.428 1.00 2.81 H new ATOM 867 N PRO A 60 11.218 10.949 -0.269 1.00 0.23 N ATOM 868 CA PRO A 60 12.350 10.470 -1.071 1.00 0.26 C ATOM 869 C PRO A 60 12.030 10.349 -2.560 1.00 0.26 C ATOM 870 O PRO A 60 10.910 10.010 -2.944 1.00 0.28 O ATOM 871 CB PRO A 60 12.659 9.083 -0.485 1.00 0.30 C ATOM 872 CG PRO A 60 11.479 8.737 0.355 1.00 0.28 C ATOM 873 CD PRO A 60 10.953 10.046 0.865 1.00 0.21 C ATOM 0 HA PRO A 60 13.184 11.170 -1.021 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.808 8.347 -1.275 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.572 9.102 0.109 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.723 8.211 -0.228 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.762 8.080 1.178 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.891 9.993 1.104 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.468 10.367 1.770 1.00 0.21 H new ATOM 881 N VAL A 61 13.027 10.619 -3.391 1.00 0.29 N ATOM 882 CA VAL A 61 12.866 10.529 -4.830 1.00 0.31 C ATOM 883 C VAL A 61 13.384 9.183 -5.313 1.00 0.28 C ATOM 884 O VAL A 61 14.257 8.581 -4.685 1.00 0.27 O ATOM 885 CB VAL A 61 13.626 11.658 -5.558 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.266 11.698 -7.036 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.344 13.002 -4.905 1.00 0.88 C ATOM 0 H VAL A 61 13.959 10.903 -3.089 1.00 0.29 H new ATOM 0 HA VAL A 61 11.805 10.632 -5.058 1.00 0.31 H new ATOM 0 HB VAL A 61 14.693 11.450 -5.476 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.816 12.503 -7.523 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.528 10.747 -7.500 1.00 0.81 H new ATOM 0 HG13 VAL A 61 12.196 11.873 -7.145 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.889 13.785 -5.433 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.275 13.211 -4.949 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.665 12.975 -3.864 1.00 0.88 H new ATOM 897 N LYS A 62 12.844 8.708 -6.413 1.00 0.27 N ATOM 898 CA LYS A 62 13.285 7.459 -6.992 1.00 0.27 C ATOM 899 C LYS A 62 14.666 7.634 -7.600 1.00 0.25 C ATOM 900 O LYS A 62 14.877 8.460 -8.485 1.00 0.31 O ATOM 901 CB LYS A 62 12.278 6.966 -8.032 1.00 0.30 C ATOM 902 CG LYS A 62 10.970 6.476 -7.420 1.00 0.37 C ATOM 903 CD LYS A 62 10.007 5.972 -8.477 1.00 0.41 C ATOM 904 CE LYS A 62 8.847 5.222 -7.846 1.00 0.60 C ATOM 905 NZ LYS A 62 7.997 4.559 -8.866 1.00 1.17 N ATOM 0 H LYS A 62 12.094 9.171 -6.927 1.00 0.27 H new ATOM 0 HA LYS A 62 13.348 6.703 -6.209 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.064 7.774 -8.732 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.727 6.157 -8.608 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.179 5.677 -6.708 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.504 7.287 -6.861 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.628 6.812 -9.058 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.534 5.317 -9.171 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.232 4.474 -7.153 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.241 5.915 -7.263 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 6.996 4.758 -8.666 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.240 4.922 -9.810 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.158 3.532 -8.838 1.00 1.17 H new ATOM 919 N GLY A 63 15.594 6.846 -7.099 1.00 0.25 N ATOM 920 CA GLY A 63 16.981 6.992 -7.451 1.00 0.27 C ATOM 921 C GLY A 63 17.823 7.047 -6.203 1.00 0.30 C ATOM 922 O GLY A 63 18.997 6.687 -6.206 1.00 0.42 O ATOM 0 H GLY A 63 15.404 6.091 -6.440 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.296 6.157 -8.077 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.123 7.900 -8.036 1.00 0.27 H new ATOM 926 N GLN A 64 17.210 7.506 -5.124 1.00 0.26 N ATOM 927 CA GLN A 64 17.871 7.538 -3.832 1.00 0.28 C ATOM 928 C GLN A 64 17.682 6.194 -3.164 1.00 0.24 C ATOM 929 O GLN A 64 16.608 5.594 -3.264 1.00 0.24 O ATOM 930 CB GLN A 64 17.303 8.649 -2.934 1.00 0.30 C ATOM 931 CG GLN A 64 16.750 9.879 -3.656 1.00 0.36 C ATOM 932 CD GLN A 64 17.732 10.625 -4.560 1.00 0.44 C ATOM 933 OE1 GLN A 64 17.638 11.842 -4.699 1.00 0.59 O ATOM 934 NE2 GLN A 64 18.637 9.925 -5.217 1.00 0.43 N ATOM 0 H GLN A 64 16.254 7.862 -5.119 1.00 0.26 H new ATOM 0 HA GLN A 64 18.930 7.747 -3.983 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.507 8.223 -2.323 1.00 0.30 H new ATOM 0 HB3 GLN A 64 18.089 8.975 -2.253 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.897 9.568 -4.259 1.00 0.36 H new ATOM 0 HG3 GLN A 64 16.375 10.577 -2.907 1.00 0.36 H new ATOM 0 HE21 GLN A 64 18.696 8.915 -5.085 1.00 0.43 H new ATOM 0 HE22 GLN A 64 19.278 10.394 -5.857 1.00 0.43 H new ATOM 943 N VAL A 65 18.719 5.702 -2.513 1.00 0.28 N ATOM 944 CA VAL A 65 18.584 4.473 -1.775 1.00 0.31 C ATOM 945 C VAL A 65 18.065 4.811 -0.387 1.00 0.25 C ATOM 946 O VAL A 65 18.555 5.721 0.281 1.00 0.32 O ATOM 947 CB VAL A 65 19.891 3.640 -1.715 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.477 3.458 -3.107 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.909 4.247 -0.772 1.00 1.05 C ATOM 0 H VAL A 65 19.645 6.129 -2.483 1.00 0.28 H new ATOM 0 HA VAL A 65 17.875 3.831 -2.298 1.00 0.31 H new ATOM 0 HB VAL A 65 19.633 2.658 -1.318 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.393 2.871 -3.042 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.757 2.939 -3.740 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.701 4.434 -3.538 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.808 3.631 -0.762 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.162 5.253 -1.108 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.490 4.295 0.233 1.00 1.05 H new ATOM 959 N VAL A 66 17.021 4.128 -0.003 1.00 0.19 N ATOM 960 CA VAL A 66 16.304 4.450 1.214 1.00 0.15 C ATOM 961 C VAL A 66 16.214 3.241 2.120 1.00 0.16 C ATOM 962 O VAL A 66 16.131 2.108 1.646 1.00 0.21 O ATOM 963 CB VAL A 66 14.883 4.963 0.898 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.935 6.249 0.091 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.089 3.925 0.128 1.00 0.25 C ATOM 0 H VAL A 66 16.640 3.335 -0.518 1.00 0.19 H new ATOM 0 HA VAL A 66 16.859 5.237 1.724 1.00 0.15 H new ATOM 0 HB VAL A 66 14.390 5.157 1.851 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.921 6.589 -0.118 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.464 7.014 0.659 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.458 6.068 -0.848 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.092 4.312 -0.082 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.596 3.701 -0.810 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.008 3.015 0.722 1.00 0.25 H new ATOM 975 N THR A 67 16.242 3.484 3.417 1.00 0.13 N ATOM 976 CA THR A 67 16.160 2.418 4.387 1.00 0.15 C ATOM 977 C THR A 67 14.730 2.230 4.852 1.00 0.16 C ATOM 978 O THR A 67 14.157 3.103 5.514 1.00 0.21 O ATOM 979 CB THR A 67 17.041 2.697 5.617 1.00 0.20 C ATOM 980 OG1 THR A 67 16.739 3.983 6.158 1.00 0.29 O ATOM 981 CG2 THR A 67 18.517 2.624 5.277 1.00 0.27 C ATOM 0 H THR A 67 16.321 4.417 3.821 1.00 0.13 H new ATOM 0 HA THR A 67 16.517 1.514 3.893 1.00 0.15 H new ATOM 0 HB THR A 67 16.824 1.927 6.357 1.00 0.20 H new ATOM 0 HG1 THR A 67 17.183 4.085 7.025 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.107 2.827 6.171 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.755 1.628 4.903 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.751 3.365 4.512 1.00 0.27 H new ATOM 989 N VAL A 68 14.150 1.103 4.510 1.00 0.15 N ATOM 990 CA VAL A 68 12.846 0.774 5.033 1.00 0.15 C ATOM 991 C VAL A 68 12.958 -0.384 6.002 1.00 0.15 C ATOM 992 O VAL A 68 13.769 -1.278 5.818 1.00 0.17 O ATOM 993 CB VAL A 68 11.819 0.419 3.933 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.523 1.626 3.061 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.307 -0.746 3.088 1.00 0.19 C ATOM 0 H VAL A 68 14.553 0.408 3.881 1.00 0.15 H new ATOM 0 HA VAL A 68 12.481 1.668 5.539 1.00 0.15 H new ATOM 0 HB VAL A 68 10.894 0.117 4.424 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.798 1.352 2.294 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.115 2.428 3.676 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.443 1.966 2.585 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.566 -0.975 2.322 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.251 -0.480 2.612 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.455 -1.619 3.723 1.00 0.19 H new ATOM 1005 N HIS A 69 12.166 -0.359 7.042 1.00 0.14 N ATOM 1006 CA HIS A 69 12.033 -1.520 7.883 1.00 0.15 C ATOM 1007 C HIS A 69 10.741 -2.184 7.501 1.00 0.14 C ATOM 1008 O HIS A 69 9.679 -1.612 7.689 1.00 0.15 O ATOM 1009 CB HIS A 69 12.009 -1.154 9.384 1.00 0.15 C ATOM 1010 CG HIS A 69 11.717 -2.339 10.278 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.172 -2.478 11.572 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.002 -3.454 10.028 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.741 -3.640 12.054 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.036 -4.236 11.136 1.00 0.18 N ATOM 0 H HIS A 69 11.607 0.446 7.326 1.00 0.14 H new ATOM 0 HA HIS A 69 12.890 -2.178 7.738 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.971 -0.724 9.663 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.255 -0.385 9.552 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.745 -1.801 12.076 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.491 -3.685 9.105 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.942 -4.025 13.043 1.00 0.18 H new ATOM 1023 N LEU A 70 10.818 -3.391 6.990 1.00 0.15 N ATOM 1024 CA LEU A 70 9.607 -4.081 6.644 1.00 0.16 C ATOM 1025 C LEU A 70 9.464 -5.360 7.441 1.00 0.15 C ATOM 1026 O LEU A 70 10.428 -6.079 7.692 1.00 0.21 O ATOM 1027 CB LEU A 70 9.504 -4.378 5.143 1.00 0.21 C ATOM 1028 CG LEU A 70 9.976 -5.760 4.698 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.527 -6.037 3.273 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.487 -5.876 4.792 1.00 0.38 C ATOM 0 H LEU A 70 11.683 -3.900 6.810 1.00 0.15 H new ATOM 0 HA LEU A 70 8.787 -3.410 6.898 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.464 -4.257 4.840 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.083 -3.628 4.604 1.00 0.21 H new ATOM 0 HG LEU A 70 9.530 -6.498 5.365 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.871 -7.026 2.969 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.439 -5.999 3.220 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.949 -5.285 2.606 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.796 -6.870 4.469 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.950 -5.126 4.151 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.801 -5.715 5.823 1.00 0.38 H new ATOM 1042 N GLN A 71 8.261 -5.587 7.888 1.00 0.13 N ATOM 1043 CA GLN A 71 7.857 -6.875 8.396 1.00 0.14 C ATOM 1044 C GLN A 71 6.543 -7.174 7.748 1.00 0.14 C ATOM 1045 O GLN A 71 5.549 -6.478 7.961 1.00 0.14 O ATOM 1046 CB GLN A 71 7.701 -6.909 9.908 1.00 0.15 C ATOM 1047 CG GLN A 71 8.548 -5.903 10.646 1.00 0.15 C ATOM 1048 CD GLN A 71 7.848 -4.587 10.861 1.00 0.16 C ATOM 1049 OE1 GLN A 71 8.138 -3.875 11.820 1.00 0.27 O ATOM 1050 NE2 GLN A 71 6.905 -4.268 9.997 1.00 0.18 N ATOM 0 H GLN A 71 7.525 -4.881 7.912 1.00 0.13 H new ATOM 0 HA GLN A 71 8.627 -7.612 8.167 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.654 -6.736 10.157 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.952 -7.908 10.264 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.835 -6.318 11.612 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.468 -5.732 10.087 1.00 0.15 H new ATOM 0 HE21 GLN A 71 6.698 -4.890 9.215 1.00 0.18 H new ATOM 0 HE22 GLN A 71 6.382 -3.399 10.110 1.00 0.18 H new ATOM 1059 N THR A 72 6.559 -8.184 6.946 1.00 0.15 N ATOM 1060 CA THR A 72 5.487 -8.430 6.040 1.00 0.16 C ATOM 1061 C THR A 72 4.589 -9.532 6.537 1.00 0.16 C ATOM 1062 O THR A 72 5.045 -10.631 6.839 1.00 0.17 O ATOM 1063 CB THR A 72 6.053 -8.799 4.680 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.914 -7.755 4.219 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.943 -9.021 3.689 1.00 0.19 C ATOM 0 H THR A 72 7.317 -8.865 6.899 1.00 0.15 H new ATOM 0 HA THR A 72 4.889 -7.522 5.960 1.00 0.16 H new ATOM 0 HB THR A 72 6.622 -9.724 4.776 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.280 -7.996 3.342 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.367 -9.284 2.720 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.302 -9.831 4.037 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.355 -8.109 3.591 1.00 0.19 H new ATOM 1073 N SER A 73 3.314 -9.231 6.610 1.00 0.17 N ATOM 1074 CA SER A 73 2.339 -10.178 7.068 1.00 0.17 C ATOM 1075 C SER A 73 1.549 -10.697 5.891 1.00 0.15 C ATOM 1076 O SER A 73 1.408 -10.027 4.872 1.00 0.26 O ATOM 1077 CB SER A 73 1.388 -9.509 8.064 1.00 0.23 C ATOM 1078 OG SER A 73 0.564 -10.454 8.725 1.00 1.06 O ATOM 0 H SER A 73 2.929 -8.322 6.353 1.00 0.17 H new ATOM 0 HA SER A 73 2.849 -11.006 7.561 1.00 0.17 H new ATOM 0 HB2 SER A 73 1.967 -8.954 8.802 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.763 -8.786 7.540 1.00 0.23 H new ATOM 0 HG SER A 73 -0.079 -10.830 8.088 1.00 1.06 H new ATOM 1084 N LEU A 74 1.058 -11.897 6.033 1.00 0.19 N ATOM 1085 CA LEU A 74 0.176 -12.480 5.056 1.00 0.18 C ATOM 1086 C LEU A 74 -1.240 -11.994 5.286 1.00 0.19 C ATOM 1087 O LEU A 74 -1.543 -11.448 6.347 1.00 0.21 O ATOM 1088 CB LEU A 74 0.229 -13.999 5.151 1.00 0.22 C ATOM 1089 CG LEU A 74 1.555 -14.626 4.724 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.365 -16.095 4.375 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.166 -13.852 3.561 1.00 0.72 C ATOM 0 H LEU A 74 1.258 -12.501 6.831 1.00 0.19 H new ATOM 0 HA LEU A 74 0.497 -12.177 4.059 1.00 0.18 H new ATOM 0 HB2 LEU A 74 0.021 -14.291 6.180 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.568 -14.415 4.534 1.00 0.22 H new ATOM 0 HG LEU A 74 2.251 -14.570 5.561 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.321 -16.524 4.073 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.986 -16.630 5.246 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.652 -16.185 3.555 1.00 0.84 H new ATOM 0 HD21 LEU A 74 3.110 -14.315 3.272 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.480 -13.867 2.714 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.345 -12.821 3.865 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.097 -12.193 4.295 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.518 -11.880 4.420 1.00 0.26 C ATOM 1105 C GLU A 75 -4.123 -12.610 5.624 1.00 0.32 C ATOM 1106 O GLU A 75 -5.114 -12.174 6.205 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.253 -12.280 3.136 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.050 -13.733 2.743 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.761 -14.090 1.456 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.233 -13.768 0.374 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.855 -14.686 1.525 1.00 1.14 O ATOM 0 H GLU A 75 -1.832 -12.573 3.386 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.629 -10.807 4.575 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.319 -12.093 3.265 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.914 -11.642 2.320 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -2.984 -13.930 2.632 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.412 -14.377 3.545 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.488 -13.718 5.996 1.00 0.34 N ATOM 1119 CA ASN A 76 -3.938 -14.543 7.114 1.00 0.41 C ATOM 1120 C ASN A 76 -3.490 -13.954 8.451 1.00 0.39 C ATOM 1121 O ASN A 76 -3.968 -14.362 9.509 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.391 -15.971 6.975 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.803 -16.638 5.672 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -4.859 -17.265 5.588 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -2.953 -16.536 4.655 1.00 1.13 N ATOM 0 H ASN A 76 -2.650 -14.069 5.533 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.028 -14.566 7.092 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.303 -15.946 7.036 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -3.743 -16.573 7.813 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.166 -16.987 3.765 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.088 -16.007 4.765 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.578 -12.989 8.402 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.051 -12.404 9.622 1.00 0.32 C ATOM 1134 C GLY A 77 -0.725 -13.018 10.020 1.00 0.32 C ATOM 1135 O GLY A 77 -0.288 -12.907 11.165 1.00 0.51 O ATOM 0 H GLY A 77 -2.194 -12.601 7.540 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.926 -11.330 9.484 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.770 -12.540 10.429 1.00 0.32 H new ATOM 1139 N THR A 78 -0.087 -13.681 9.071 1.00 0.28 N ATOM 1140 CA THR A 78 1.173 -14.357 9.325 1.00 0.28 C ATOM 1141 C THR A 78 2.351 -13.561 8.788 1.00 0.23 C ATOM 1142 O THR A 78 2.527 -13.445 7.579 1.00 0.21 O ATOM 1143 CB THR A 78 1.158 -15.755 8.687 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.076 -16.409 9.007 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.328 -16.590 9.185 1.00 0.39 C ATOM 0 H THR A 78 -0.424 -13.766 8.112 1.00 0.28 H new ATOM 0 HA THR A 78 1.290 -14.448 10.405 1.00 0.28 H new ATOM 0 HB THR A 78 1.250 -15.648 7.606 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.089 -17.300 8.600 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.296 -17.575 8.720 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.264 -16.096 8.925 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.263 -16.698 10.268 1.00 0.39 H new ATOM 1153 N ARG A 79 3.155 -13.007 9.684 1.00 0.24 N ATOM 1154 CA ARG A 79 4.335 -12.268 9.268 1.00 0.22 C ATOM 1155 C ARG A 79 5.418 -13.229 8.812 1.00 0.24 C ATOM 1156 O ARG A 79 5.939 -14.025 9.589 1.00 0.33 O ATOM 1157 CB ARG A 79 4.830 -11.351 10.379 1.00 0.25 C ATOM 1158 CG ARG A 79 3.870 -10.209 10.634 1.00 0.25 C ATOM 1159 CD ARG A 79 4.607 -8.919 10.948 1.00 0.28 C ATOM 1160 NE ARG A 79 3.692 -7.771 11.040 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.047 -6.548 11.458 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.252 -6.330 11.960 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.178 -5.546 11.421 1.00 0.47 N ATOM 0 H ARG A 79 3.013 -13.055 10.693 1.00 0.24 H new ATOM 0 HA ARG A 79 4.068 -11.632 8.424 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.961 -11.927 11.295 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.808 -10.951 10.112 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.237 -10.063 9.759 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.212 -10.464 11.465 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.146 -9.029 11.889 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.351 -8.729 10.174 1.00 0.28 H new ATOM 0 HE ARG A 79 2.720 -7.916 10.767 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.921 -7.097 12.032 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.512 -5.395 12.275 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.232 -5.704 11.073 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.456 -4.618 11.741 1.00 0.47 H new ATOM 1177 N VAL A 80 5.742 -13.140 7.535 1.00 0.20 N ATOM 1178 CA VAL A 80 6.578 -14.124 6.878 1.00 0.22 C ATOM 1179 C VAL A 80 8.011 -13.660 6.759 1.00 0.21 C ATOM 1180 O VAL A 80 8.902 -14.439 6.420 1.00 0.27 O ATOM 1181 CB VAL A 80 6.027 -14.427 5.479 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.658 -15.054 5.590 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.980 -13.165 4.622 1.00 0.22 C ATOM 0 H VAL A 80 5.432 -12.383 6.925 1.00 0.20 H new ATOM 0 HA VAL A 80 6.564 -15.025 7.492 1.00 0.22 H new ATOM 0 HB VAL A 80 6.697 -15.133 4.988 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.273 -15.266 4.593 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.728 -15.982 6.157 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.983 -14.367 6.100 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.585 -13.409 3.636 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.335 -12.426 5.098 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.986 -12.757 4.520 1.00 0.22 H new ATOM 1193 N GLN A 81 8.232 -12.389 7.028 1.00 0.18 N ATOM 1194 CA GLN A 81 9.550 -11.817 6.904 1.00 0.19 C ATOM 1195 C GLN A 81 9.646 -10.543 7.723 1.00 0.19 C ATOM 1196 O GLN A 81 8.723 -9.729 7.724 1.00 0.26 O ATOM 1197 CB GLN A 81 9.867 -11.528 5.430 1.00 0.23 C ATOM 1198 CG GLN A 81 8.956 -10.487 4.793 1.00 0.23 C ATOM 1199 CD GLN A 81 9.301 -10.218 3.350 1.00 0.37 C ATOM 1200 OE1 GLN A 81 10.173 -9.405 3.043 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.598 -10.887 2.454 1.00 0.50 N ATOM 0 H GLN A 81 7.512 -11.735 7.334 1.00 0.18 H new ATOM 0 HA GLN A 81 10.280 -12.532 7.283 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.900 -11.189 5.351 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.792 -12.457 4.864 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.922 -10.826 4.858 1.00 0.23 H new ATOM 0 HG3 GLN A 81 9.023 -9.557 5.358 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.885 -11.551 2.757 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.768 -10.740 1.459 1.00 0.50 H new ATOM 1210 N GLU A 82 10.742 -10.391 8.439 1.00 0.24 N ATOM 1211 CA GLU A 82 11.017 -9.159 9.148 1.00 0.24 C ATOM 1212 C GLU A 82 12.449 -8.730 8.898 1.00 0.25 C ATOM 1213 O GLU A 82 13.390 -9.487 9.142 1.00 0.41 O ATOM 1214 CB GLU A 82 10.775 -9.296 10.651 1.00 0.35 C ATOM 1215 CG GLU A 82 11.103 -8.023 11.411 1.00 0.44 C ATOM 1216 CD GLU A 82 10.846 -8.136 12.891 1.00 0.82 C ATOM 1217 OE1 GLU A 82 9.703 -7.890 13.315 1.00 1.34 O ATOM 1218 OE2 GLU A 82 11.782 -8.496 13.630 1.00 1.21 O ATOM 0 H GLU A 82 11.459 -11.109 8.545 1.00 0.24 H new ATOM 0 HA GLU A 82 10.330 -8.402 8.770 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.732 -9.561 10.825 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.381 -10.114 11.040 1.00 0.35 H new ATOM 0 HG2 GLU A 82 12.151 -7.769 11.248 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.510 -7.203 11.007 1.00 0.44 H new ATOM 1225 N GLU A 83 12.596 -7.521 8.404 1.00 0.22 N ATOM 1226 CA GLU A 83 13.893 -6.961 8.123 1.00 0.26 C ATOM 1227 C GLU A 83 13.940 -5.516 8.592 1.00 0.23 C ATOM 1228 O GLU A 83 13.182 -4.661 8.130 1.00 0.24 O ATOM 1229 CB GLU A 83 14.200 -7.129 6.630 1.00 0.39 C ATOM 1230 CG GLU A 83 15.126 -6.088 6.034 1.00 1.20 C ATOM 1231 CD GLU A 83 15.756 -6.568 4.743 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.037 -6.660 3.722 1.00 2.59 O ATOM 1233 OE2 GLU A 83 16.972 -6.833 4.735 1.00 1.69 O ATOM 0 H GLU A 83 11.817 -6.900 8.187 1.00 0.22 H new ATOM 0 HA GLU A 83 14.674 -7.489 8.671 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.641 -8.114 6.476 1.00 0.39 H new ATOM 0 HB3 GLU A 83 13.260 -7.112 6.079 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.569 -5.170 5.847 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.909 -5.845 6.752 1.00 1.20 H new ATOM 1240 N PRO A 84 14.821 -5.248 9.562 1.00 0.23 N ATOM 1241 CA PRO A 84 14.867 -3.969 10.268 1.00 0.21 C ATOM 1242 C PRO A 84 15.410 -2.837 9.415 1.00 0.19 C ATOM 1243 O PRO A 84 15.254 -1.664 9.758 1.00 0.20 O ATOM 1244 CB PRO A 84 15.800 -4.248 11.445 1.00 0.25 C ATOM 1245 CG PRO A 84 16.693 -5.338 10.965 1.00 0.50 C ATOM 1246 CD PRO A 84 15.856 -6.184 10.046 1.00 0.31 C ATOM 0 HA PRO A 84 13.871 -3.637 10.560 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.370 -3.360 11.718 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.242 -4.553 12.330 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.558 -4.932 10.441 1.00 0.50 H new ATOM 0 HG3 PRO A 84 17.073 -5.927 11.800 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.447 -6.589 9.224 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.416 -7.032 10.571 1.00 0.31 H new ATOM 1254 N GLU A 85 16.030 -3.184 8.302 1.00 0.20 N ATOM 1255 CA GLU A 85 16.596 -2.185 7.425 1.00 0.22 C ATOM 1256 C GLU A 85 16.916 -2.770 6.075 1.00 0.24 C ATOM 1257 O GLU A 85 17.809 -3.600 5.916 1.00 0.35 O ATOM 1258 CB GLU A 85 17.836 -1.544 8.048 1.00 0.31 C ATOM 1259 CG GLU A 85 18.361 -0.353 7.267 1.00 0.34 C ATOM 1260 CD GLU A 85 19.289 0.512 8.089 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.786 1.230 8.980 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.510 0.480 7.853 1.00 1.30 O ATOM 0 H GLU A 85 16.152 -4.147 7.988 1.00 0.20 H new ATOM 0 HA GLU A 85 15.849 -1.404 7.286 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.599 -1.226 9.063 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.623 -2.294 8.124 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.888 -0.707 6.381 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.521 0.249 6.919 1.00 0.34 H new ATOM 1269 N LEU A 86 16.140 -2.322 5.123 1.00 0.23 N ATOM 1270 CA LEU A 86 16.276 -2.692 3.746 1.00 0.24 C ATOM 1271 C LEU A 86 16.512 -1.438 2.921 1.00 0.23 C ATOM 1272 O LEU A 86 15.591 -0.657 2.683 1.00 0.25 O ATOM 1273 CB LEU A 86 15.000 -3.394 3.293 1.00 0.26 C ATOM 1274 CG LEU A 86 14.906 -3.677 1.803 1.00 0.33 C ATOM 1275 CD1 LEU A 86 16.077 -4.528 1.329 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.588 -4.364 1.487 1.00 0.38 C ATOM 0 H LEU A 86 15.374 -1.670 5.294 1.00 0.23 H new ATOM 0 HA LEU A 86 17.120 -3.369 3.614 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.914 -4.338 3.831 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.146 -2.782 3.584 1.00 0.26 H new ATOM 0 HG LEU A 86 14.948 -2.727 1.271 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.982 -4.714 0.259 1.00 0.38 H new ATOM 0 HD12 LEU A 86 17.012 -4.002 1.524 1.00 0.38 H new ATOM 0 HD13 LEU A 86 16.076 -5.478 1.864 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.529 -4.563 0.417 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.527 -5.304 2.035 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.761 -3.718 1.782 1.00 0.38 H new ATOM 1288 N VAL A 87 17.750 -1.230 2.526 1.00 0.24 N ATOM 1289 CA VAL A 87 18.102 -0.069 1.735 1.00 0.22 C ATOM 1290 C VAL A 87 18.150 -0.445 0.256 1.00 0.21 C ATOM 1291 O VAL A 87 18.837 -1.388 -0.138 1.00 0.28 O ATOM 1292 CB VAL A 87 19.447 0.540 2.196 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.581 -0.462 2.081 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.769 1.800 1.416 1.00 0.94 C ATOM 0 H VAL A 87 18.531 -1.850 2.740 1.00 0.24 H new ATOM 0 HA VAL A 87 17.336 0.693 1.880 1.00 0.22 H new ATOM 0 HB VAL A 87 19.340 0.804 3.248 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.510 0.001 2.413 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.364 -1.330 2.704 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.684 -0.778 1.043 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.720 2.208 1.760 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.839 1.563 0.354 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.981 2.536 1.572 1.00 0.94 H new ATOM 1304 N PHE A 88 17.400 0.286 -0.551 1.00 0.17 N ATOM 1305 CA PHE A 88 17.228 -0.057 -1.955 1.00 0.19 C ATOM 1306 C PHE A 88 17.068 1.190 -2.802 1.00 0.20 C ATOM 1307 O PHE A 88 16.710 2.256 -2.295 1.00 0.23 O ATOM 1308 CB PHE A 88 16.007 -0.958 -2.119 1.00 0.21 C ATOM 1309 CG PHE A 88 14.697 -0.276 -1.825 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.237 -0.159 -0.522 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.935 0.256 -2.854 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.042 0.475 -0.249 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.742 0.895 -2.586 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.267 0.955 -1.287 1.00 0.15 C ATOM 0 H PHE A 88 16.898 1.124 -0.258 1.00 0.17 H new ATOM 0 HA PHE A 88 18.119 -0.586 -2.293 1.00 0.19 H new ATOM 0 HB2 PHE A 88 15.985 -1.340 -3.140 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.113 -1.819 -1.459 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.821 -0.569 0.289 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.278 0.169 -3.874 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.714 0.596 0.773 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.179 1.348 -3.389 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.293 1.376 -1.086 1.00 0.15 H new ATOM 1324 N THR A 89 17.322 1.048 -4.090 1.00 0.23 N ATOM 1325 CA THR A 89 17.190 2.150 -5.016 1.00 0.25 C ATOM 1326 C THR A 89 15.727 2.338 -5.405 1.00 0.21 C ATOM 1327 O THR A 89 15.140 1.492 -6.085 1.00 0.22 O ATOM 1328 CB THR A 89 18.041 1.905 -6.272 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.292 1.311 -5.898 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.293 3.211 -7.014 1.00 0.37 C ATOM 0 H THR A 89 17.623 0.172 -4.518 1.00 0.23 H new ATOM 0 HA THR A 89 17.546 3.056 -4.526 1.00 0.25 H new ATOM 0 HB THR A 89 17.499 1.230 -6.934 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.164 0.352 -5.739 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.897 3.015 -7.900 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.341 3.649 -7.314 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.822 3.905 -6.360 1.00 0.37 H new ATOM 1338 N LEU A 90 15.136 3.431 -4.932 1.00 0.19 N ATOM 1339 CA LEU A 90 13.744 3.748 -5.230 1.00 0.16 C ATOM 1340 C LEU A 90 13.518 3.852 -6.737 1.00 0.15 C ATOM 1341 O LEU A 90 14.314 4.465 -7.445 1.00 0.18 O ATOM 1342 CB LEU A 90 13.352 5.070 -4.570 1.00 0.16 C ATOM 1343 CG LEU A 90 11.849 5.290 -4.420 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.216 4.108 -3.704 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.573 6.582 -3.663 1.00 0.60 C ATOM 0 H LEU A 90 15.603 4.116 -4.337 1.00 0.19 H new ATOM 0 HA LEU A 90 13.125 2.942 -4.835 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.812 5.118 -3.583 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.768 5.890 -5.156 1.00 0.16 H new ATOM 0 HG LEU A 90 11.407 5.374 -5.413 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.144 4.276 -3.603 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.388 3.199 -4.280 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.662 4.001 -2.715 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.497 6.723 -3.565 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.023 6.526 -2.672 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.001 7.422 -4.209 1.00 0.60 H new ATOM 1357 N GLY A 91 12.448 3.240 -7.222 1.00 0.20 N ATOM 1358 CA GLY A 91 12.089 3.358 -8.624 1.00 0.23 C ATOM 1359 C GLY A 91 12.990 2.543 -9.518 1.00 0.26 C ATOM 1360 O GLY A 91 12.965 2.681 -10.742 1.00 0.37 O ATOM 0 H GLY A 91 11.818 2.660 -6.668 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.057 3.035 -8.761 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.137 4.405 -8.922 1.00 0.23 H new ATOM 1364 N ASP A 92 13.785 1.685 -8.910 1.00 0.27 N ATOM 1365 CA ASP A 92 14.711 0.859 -9.660 1.00 0.32 C ATOM 1366 C ASP A 92 14.279 -0.589 -9.561 1.00 0.30 C ATOM 1367 O ASP A 92 14.980 -1.496 -10.010 1.00 0.37 O ATOM 1368 CB ASP A 92 16.138 1.065 -9.140 1.00 0.42 C ATOM 1369 CG ASP A 92 17.192 0.503 -10.074 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.150 0.809 -11.283 1.00 0.93 O ATOM 1371 OD2 ASP A 92 18.046 -0.280 -9.604 1.00 0.82 O ATOM 0 H ASP A 92 13.809 1.541 -7.900 1.00 0.27 H new ATOM 0 HA ASP A 92 14.703 1.147 -10.711 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.317 2.131 -8.997 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.235 0.592 -8.163 1.00 0.42 H new ATOM 1376 N CYS A 93 13.085 -0.784 -8.987 1.00 0.28 N ATOM 1377 CA CYS A 93 12.526 -2.112 -8.779 1.00 0.27 C ATOM 1378 C CYS A 93 13.498 -2.962 -7.979 1.00 0.26 C ATOM 1379 O CYS A 93 13.579 -4.179 -8.155 1.00 0.31 O ATOM 1380 CB CYS A 93 12.219 -2.781 -10.115 1.00 0.38 C ATOM 1381 SG CYS A 93 11.176 -1.785 -11.211 1.00 0.62 S ATOM 0 H CYS A 93 12.488 -0.026 -8.658 1.00 0.28 H new ATOM 0 HA CYS A 93 11.594 -2.015 -8.222 1.00 0.27 H new ATOM 0 HB2 CYS A 93 13.157 -3.002 -10.624 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.726 -3.735 -9.928 1.00 0.38 H new ATOM 0 HG CYS A 93 9.931 -2.125 -11.052 1.00 0.62 H new ATOM 1387 N ASP A 94 14.216 -2.302 -7.076 1.00 0.27 N ATOM 1388 CA ASP A 94 15.197 -2.967 -6.246 1.00 0.33 C ATOM 1389 C ASP A 94 14.470 -3.888 -5.273 1.00 0.33 C ATOM 1390 O ASP A 94 15.050 -4.779 -4.648 1.00 0.48 O ATOM 1391 CB ASP A 94 16.001 -1.921 -5.483 1.00 0.41 C ATOM 1392 CG ASP A 94 17.456 -2.295 -5.293 1.00 0.65 C ATOM 1393 OD1 ASP A 94 17.717 -3.474 -4.955 1.00 0.96 O ATOM 1394 OD2 ASP A 94 18.336 -1.428 -5.466 1.00 1.33 O ATOM 0 H ASP A 94 14.131 -1.300 -6.905 1.00 0.27 H new ATOM 0 HA ASP A 94 15.879 -3.556 -6.860 1.00 0.33 H new ATOM 0 HB2 ASP A 94 15.945 -0.972 -6.016 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.544 -1.765 -4.506 1.00 0.41 H new ATOM 1399 N VAL A 95 13.170 -3.654 -5.186 1.00 0.23 N ATOM 1400 CA VAL A 95 12.285 -4.353 -4.271 1.00 0.21 C ATOM 1401 C VAL A 95 11.017 -4.796 -4.988 1.00 0.20 C ATOM 1402 O VAL A 95 10.995 -4.917 -6.213 1.00 0.22 O ATOM 1403 CB VAL A 95 11.894 -3.427 -3.109 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.079 -3.202 -2.202 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.373 -2.101 -3.651 1.00 0.19 C ATOM 0 H VAL A 95 12.693 -2.960 -5.761 1.00 0.23 H new ATOM 0 HA VAL A 95 12.812 -5.228 -3.891 1.00 0.21 H new ATOM 0 HB VAL A 95 11.101 -3.900 -2.529 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.790 -2.544 -1.382 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.416 -4.157 -1.799 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.888 -2.742 -2.768 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.098 -1.451 -2.820 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.150 -1.621 -4.246 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.498 -2.282 -4.275 1.00 0.19 H new ATOM 1415 N ILE A 96 9.953 -5.005 -4.225 1.00 0.19 N ATOM 1416 CA ILE A 96 8.674 -5.332 -4.793 1.00 0.19 C ATOM 1417 C ILE A 96 8.011 -4.038 -5.210 1.00 0.16 C ATOM 1418 O ILE A 96 8.118 -3.032 -4.506 1.00 0.15 O ATOM 1419 CB ILE A 96 7.783 -6.104 -3.796 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.512 -5.267 -2.542 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.450 -7.422 -3.427 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.589 -5.945 -1.552 1.00 0.29 C ATOM 0 H ILE A 96 9.962 -4.951 -3.206 1.00 0.19 H new ATOM 0 HA ILE A 96 8.815 -5.987 -5.653 1.00 0.19 H new ATOM 0 HB ILE A 96 6.824 -6.311 -4.271 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.459 -5.046 -2.051 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.076 -4.313 -2.839 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.819 -7.965 -2.723 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.591 -8.023 -4.326 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.418 -7.224 -2.968 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.441 -5.296 -0.689 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.628 -6.142 -2.027 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.033 -6.886 -1.227 1.00 0.29 H new ATOM 1434 N GLN A 97 7.360 -4.046 -6.352 1.00 0.17 N ATOM 1435 CA GLN A 97 6.820 -2.820 -6.922 1.00 0.17 C ATOM 1436 C GLN A 97 5.841 -2.152 -5.955 1.00 0.16 C ATOM 1437 O GLN A 97 5.725 -0.928 -5.936 1.00 0.16 O ATOM 1438 CB GLN A 97 6.142 -3.093 -8.260 1.00 0.19 C ATOM 1439 CG GLN A 97 6.194 -1.906 -9.209 1.00 0.25 C ATOM 1440 CD GLN A 97 7.553 -1.745 -9.874 1.00 0.31 C ATOM 1441 OE1 GLN A 97 7.785 -2.289 -10.953 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.464 -1.011 -9.237 1.00 0.32 N ATOM 0 H GLN A 97 7.189 -4.884 -6.908 1.00 0.17 H new ATOM 0 HA GLN A 97 7.653 -2.138 -7.092 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.619 -3.951 -8.734 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.101 -3.365 -8.084 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.430 -2.027 -9.977 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.953 -0.996 -8.660 1.00 0.25 H new ATOM 0 HE21 GLN A 97 8.234 -0.575 -8.344 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.391 -0.884 -9.643 1.00 0.32 H new ATOM 1451 N ALA A 98 5.156 -2.958 -5.140 1.00 0.17 N ATOM 1452 CA ALA A 98 4.276 -2.432 -4.096 1.00 0.18 C ATOM 1453 C ALA A 98 5.033 -1.468 -3.198 1.00 0.17 C ATOM 1454 O ALA A 98 4.562 -0.373 -2.892 1.00 0.20 O ATOM 1455 CB ALA A 98 3.715 -3.569 -3.256 1.00 0.20 C ATOM 0 H ALA A 98 5.194 -3.976 -5.184 1.00 0.17 H new ATOM 0 HA ALA A 98 3.455 -1.901 -4.579 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.062 -3.163 -2.483 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.146 -4.246 -3.893 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.535 -4.115 -2.788 1.00 0.20 H new ATOM 1461 N LEU A 99 6.225 -1.876 -2.811 1.00 0.17 N ATOM 1462 CA LEU A 99 7.046 -1.079 -1.907 1.00 0.17 C ATOM 1463 C LEU A 99 7.707 0.064 -2.652 1.00 0.15 C ATOM 1464 O LEU A 99 7.801 1.183 -2.147 1.00 0.15 O ATOM 1465 CB LEU A 99 8.122 -1.917 -1.228 1.00 0.19 C ATOM 1466 CG LEU A 99 9.022 -1.127 -0.270 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.195 -0.500 0.845 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.106 -2.018 0.310 1.00 0.22 C ATOM 0 H LEU A 99 6.651 -2.755 -3.106 1.00 0.17 H new ATOM 0 HA LEU A 99 6.379 -0.684 -1.141 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.643 -2.725 -0.675 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.744 -2.380 -1.994 1.00 0.19 H new ATOM 0 HG LEU A 99 9.503 -0.329 -0.836 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.850 0.057 1.515 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.457 0.177 0.414 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.685 -1.284 1.405 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.732 -1.436 0.986 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.646 -2.840 0.858 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.719 -2.418 -0.498 1.00 0.22 H new ATOM 1480 N ASP A 100 8.133 -0.231 -3.868 1.00 0.15 N ATOM 1481 CA ASP A 100 8.868 0.715 -4.688 1.00 0.16 C ATOM 1482 C ASP A 100 8.001 1.933 -4.962 1.00 0.15 C ATOM 1483 O ASP A 100 8.494 3.044 -5.150 1.00 0.16 O ATOM 1484 CB ASP A 100 9.287 0.027 -5.991 1.00 0.17 C ATOM 1485 CG ASP A 100 10.111 0.911 -6.903 1.00 0.20 C ATOM 1486 OD1 ASP A 100 11.357 0.910 -6.782 1.00 0.21 O ATOM 1487 OD2 ASP A 100 9.512 1.633 -7.724 1.00 0.26 O ATOM 0 H ASP A 100 7.978 -1.135 -4.315 1.00 0.15 H new ATOM 0 HA ASP A 100 9.765 1.050 -4.167 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.860 -0.869 -5.752 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.394 -0.299 -6.524 1.00 0.17 H new ATOM 1492 N LEU A 101 6.698 1.706 -4.972 1.00 0.16 N ATOM 1493 CA LEU A 101 5.732 2.767 -5.143 1.00 0.16 C ATOM 1494 C LEU A 101 5.298 3.366 -3.801 1.00 0.15 C ATOM 1495 O LEU A 101 5.048 4.569 -3.699 1.00 0.16 O ATOM 1496 CB LEU A 101 4.519 2.222 -5.892 1.00 0.19 C ATOM 1497 CG LEU A 101 4.816 1.584 -7.251 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.536 1.061 -7.885 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.515 2.574 -8.169 1.00 0.25 C ATOM 0 H LEU A 101 6.285 0.780 -4.862 1.00 0.16 H new ATOM 0 HA LEU A 101 6.199 3.567 -5.718 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.028 1.481 -5.262 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.809 3.036 -6.040 1.00 0.19 H new ATOM 0 HG LEU A 101 5.487 0.739 -7.096 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.766 0.611 -8.851 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.087 0.312 -7.233 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.837 1.885 -8.026 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.717 2.100 -9.129 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.875 3.443 -8.321 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.455 2.890 -7.716 1.00 0.25 H new ATOM 1511 N SER A 102 5.215 2.528 -2.776 1.00 0.15 N ATOM 1512 CA SER A 102 4.714 2.948 -1.476 1.00 0.17 C ATOM 1513 C SER A 102 5.623 3.997 -0.845 1.00 0.15 C ATOM 1514 O SER A 102 5.155 4.915 -0.176 1.00 0.18 O ATOM 1515 CB SER A 102 4.586 1.735 -0.549 1.00 0.23 C ATOM 1516 OG SER A 102 4.206 2.120 0.760 1.00 1.01 O ATOM 0 H SER A 102 5.491 1.547 -2.822 1.00 0.15 H new ATOM 0 HA SER A 102 3.732 3.398 -1.620 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.848 1.042 -0.954 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.536 1.203 -0.511 1.00 0.23 H new ATOM 0 HG SER A 102 4.808 1.704 1.411 1.00 1.01 H new ATOM 1522 N VAL A 103 6.919 3.858 -1.074 1.00 0.15 N ATOM 1523 CA VAL A 103 7.910 4.739 -0.472 1.00 0.16 C ATOM 1524 C VAL A 103 7.757 6.194 -0.924 1.00 0.16 C ATOM 1525 O VAL A 103 7.632 7.081 -0.090 1.00 0.18 O ATOM 1526 CB VAL A 103 9.325 4.254 -0.780 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.371 5.281 -0.358 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.579 2.928 -0.088 1.00 0.19 C ATOM 0 H VAL A 103 7.313 3.137 -1.678 1.00 0.15 H new ATOM 0 HA VAL A 103 7.737 4.706 0.604 1.00 0.16 H new ATOM 0 HB VAL A 103 9.410 4.119 -1.858 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.366 4.904 -0.592 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.202 6.214 -0.895 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.293 5.460 0.714 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.590 2.588 -0.312 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.469 3.053 0.989 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.861 2.189 -0.443 1.00 0.19 H new ATOM 1538 N PRO A 104 7.769 6.472 -2.243 1.00 0.17 N ATOM 1539 CA PRO A 104 7.550 7.832 -2.749 1.00 0.21 C ATOM 1540 C PRO A 104 6.156 8.349 -2.403 1.00 0.19 C ATOM 1541 O PRO A 104 5.917 9.557 -2.386 1.00 0.22 O ATOM 1542 CB PRO A 104 7.720 7.692 -4.264 1.00 0.27 C ATOM 1543 CG PRO A 104 7.534 6.244 -4.544 1.00 0.21 C ATOM 1544 CD PRO A 104 8.039 5.523 -3.335 1.00 0.17 C ATOM 0 HA PRO A 104 8.240 8.550 -2.307 1.00 0.21 H new ATOM 0 HB2 PRO A 104 6.986 8.294 -4.800 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.705 8.032 -4.583 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.484 6.013 -4.726 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.085 5.945 -5.435 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.520 4.577 -3.184 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.102 5.294 -3.417 1.00 0.17 H new ATOM 1552 N LEU A 105 5.241 7.423 -2.144 1.00 0.18 N ATOM 1553 CA LEU A 105 3.907 7.770 -1.669 1.00 0.19 C ATOM 1554 C LEU A 105 3.904 8.025 -0.164 1.00 0.22 C ATOM 1555 O LEU A 105 2.923 8.514 0.398 1.00 0.32 O ATOM 1556 CB LEU A 105 2.934 6.642 -1.986 1.00 0.18 C ATOM 1557 CG LEU A 105 2.455 6.569 -3.433 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.210 5.705 -3.528 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.186 7.963 -3.988 1.00 0.64 C ATOM 0 H LEU A 105 5.399 6.422 -2.256 1.00 0.18 H new ATOM 0 HA LEU A 105 3.598 8.683 -2.178 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.409 5.695 -1.732 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.063 6.746 -1.339 1.00 0.18 H new ATOM 0 HG LEU A 105 3.242 6.115 -4.035 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.877 5.660 -4.565 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.438 4.699 -3.176 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.421 6.135 -2.912 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.846 7.884 -5.021 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.417 8.451 -3.389 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.102 8.552 -3.952 1.00 0.64 H new ATOM 1571 N MET A 106 4.983 7.642 0.488 1.00 0.20 N ATOM 1572 CA MET A 106 5.124 7.819 1.923 1.00 0.24 C ATOM 1573 C MET A 106 6.110 8.953 2.239 1.00 0.21 C ATOM 1574 O MET A 106 6.944 9.315 1.409 1.00 0.26 O ATOM 1575 CB MET A 106 5.567 6.485 2.549 1.00 0.33 C ATOM 1576 CG MET A 106 6.986 6.470 3.081 1.00 0.53 C ATOM 1577 SD MET A 106 7.639 4.791 3.263 1.00 0.78 S ATOM 1578 CE MET A 106 6.508 4.110 4.464 1.00 0.54 C ATOM 0 H MET A 106 5.786 7.200 0.041 1.00 0.20 H new ATOM 0 HA MET A 106 4.165 8.107 2.355 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.886 6.239 3.364 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.466 5.698 1.801 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.629 7.036 2.407 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.014 6.974 4.047 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.056 3.835 5.365 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.751 4.853 4.713 1.00 0.54 H new ATOM 0 HE3 MET A 106 6.025 3.225 4.049 1.00 0.54 H new ATOM 1588 N ASP A 107 5.990 9.528 3.428 1.00 0.18 N ATOM 1589 CA ASP A 107 6.858 10.622 3.850 1.00 0.18 C ATOM 1590 C ASP A 107 8.011 10.085 4.687 1.00 0.14 C ATOM 1591 O ASP A 107 7.902 9.025 5.311 1.00 0.13 O ATOM 1592 CB ASP A 107 6.056 11.653 4.656 1.00 0.25 C ATOM 1593 CG ASP A 107 5.176 12.545 3.795 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.109 12.085 3.338 1.00 0.92 O ATOM 1595 OD2 ASP A 107 5.544 13.726 3.579 1.00 0.97 O ATOM 0 H ASP A 107 5.295 9.253 4.123 1.00 0.18 H new ATOM 0 HA ASP A 107 7.265 11.108 2.963 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.431 11.130 5.380 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.747 12.277 5.223 1.00 0.25 H new ATOM 1600 N VAL A 108 9.128 10.799 4.690 1.00 0.16 N ATOM 1601 CA VAL A 108 10.292 10.350 5.433 1.00 0.16 C ATOM 1602 C VAL A 108 9.999 10.318 6.924 1.00 0.15 C ATOM 1603 O VAL A 108 9.442 11.261 7.496 1.00 0.19 O ATOM 1604 CB VAL A 108 11.552 11.206 5.134 1.00 0.21 C ATOM 1605 CG1 VAL A 108 11.823 12.254 6.207 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.763 10.309 4.943 1.00 0.80 C ATOM 0 H VAL A 108 9.251 11.681 4.192 1.00 0.16 H new ATOM 0 HA VAL A 108 10.513 9.336 5.099 1.00 0.16 H new ATOM 0 HB VAL A 108 11.356 11.750 4.210 1.00 0.21 H new ATOM 0 HG11 VAL A 108 12.716 12.822 5.944 1.00 0.68 H new ATOM 0 HG12 VAL A 108 10.971 12.930 6.279 1.00 0.68 H new ATOM 0 HG13 VAL A 108 11.976 11.761 7.167 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.640 10.921 4.734 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.933 9.729 5.850 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.586 9.632 4.108 1.00 0.80 H new ATOM 1616 N GLY A 109 10.320 9.194 7.518 1.00 0.15 N ATOM 1617 CA GLY A 109 10.156 9.025 8.942 1.00 0.17 C ATOM 1618 C GLY A 109 8.828 8.396 9.297 1.00 0.18 C ATOM 1619 O GLY A 109 8.472 8.316 10.476 1.00 0.28 O ATOM 0 H GLY A 109 10.698 8.379 7.035 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.964 8.403 9.327 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.239 9.995 9.432 1.00 0.17 H new ATOM 1623 N GLU A 110 8.080 7.952 8.291 1.00 0.13 N ATOM 1624 CA GLU A 110 6.763 7.396 8.542 1.00 0.13 C ATOM 1625 C GLU A 110 6.800 5.882 8.601 1.00 0.10 C ATOM 1626 O GLU A 110 7.785 5.245 8.216 1.00 0.12 O ATOM 1627 CB GLU A 110 5.742 7.844 7.485 1.00 0.17 C ATOM 1628 CG GLU A 110 5.692 7.015 6.215 1.00 0.20 C ATOM 1629 CD GLU A 110 4.431 7.287 5.403 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.160 8.463 5.074 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.699 6.329 5.099 1.00 0.39 O ATOM 0 H GLU A 110 8.361 7.967 7.311 1.00 0.13 H new ATOM 0 HA GLU A 110 6.447 7.779 9.513 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.751 7.836 7.939 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.960 8.877 7.213 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.569 7.233 5.606 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.737 5.957 6.471 1.00 0.20 H new ATOM 1638 N THR A 111 5.719 5.314 9.092 1.00 0.10 N ATOM 1639 CA THR A 111 5.533 3.891 9.072 1.00 0.11 C ATOM 1640 C THR A 111 4.185 3.608 8.438 1.00 0.11 C ATOM 1641 O THR A 111 3.152 4.059 8.935 1.00 0.12 O ATOM 1642 CB THR A 111 5.610 3.286 10.487 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.766 3.801 11.164 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.706 1.768 10.421 1.00 0.19 C ATOM 0 H THR A 111 4.948 5.832 9.515 1.00 0.10 H new ATOM 0 HA THR A 111 6.332 3.427 8.493 1.00 0.11 H new ATOM 0 HB THR A 111 4.704 3.558 11.029 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.815 3.418 12.065 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.759 1.363 11.431 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.826 1.369 9.916 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.601 1.484 9.868 1.00 0.19 H new ATOM 1652 N ALA A 112 4.200 2.914 7.316 1.00 0.12 N ATOM 1653 CA ALA A 112 2.986 2.661 6.582 1.00 0.13 C ATOM 1654 C ALA A 112 2.743 1.178 6.467 1.00 0.12 C ATOM 1655 O ALA A 112 3.662 0.406 6.213 1.00 0.13 O ATOM 1656 CB ALA A 112 3.059 3.290 5.203 1.00 0.18 C ATOM 0 H ALA A 112 5.041 2.518 6.897 1.00 0.12 H new ATOM 0 HA ALA A 112 2.154 3.110 7.125 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.134 3.089 4.662 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.196 4.367 5.301 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.900 2.866 4.654 1.00 0.18 H new ATOM 1662 N MET A 113 1.510 0.786 6.661 1.00 0.12 N ATOM 1663 CA MET A 113 1.130 -0.588 6.474 1.00 0.12 C ATOM 1664 C MET A 113 0.433 -0.691 5.133 1.00 0.12 C ATOM 1665 O MET A 113 -0.595 -0.052 4.917 1.00 0.14 O ATOM 1666 CB MET A 113 0.217 -1.056 7.606 1.00 0.16 C ATOM 1667 CG MET A 113 -0.397 -2.418 7.355 1.00 0.25 C ATOM 1668 SD MET A 113 -1.094 -3.163 8.840 1.00 0.53 S ATOM 1669 CE MET A 113 -2.525 -2.126 9.085 1.00 1.32 C ATOM 0 H MET A 113 0.750 1.403 6.949 1.00 0.12 H new ATOM 0 HA MET A 113 2.009 -1.232 6.490 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.787 -1.088 8.534 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.580 -0.326 7.746 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.179 -2.324 6.601 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.363 -3.083 6.945 1.00 0.25 H new ATOM 0 HE1 MET A 113 -3.212 -2.612 9.777 1.00 1.32 H new ATOM 0 HE2 MET A 113 -2.213 -1.166 9.497 1.00 1.32 H new ATOM 0 HE3 MET A 113 -3.025 -1.965 8.130 1.00 1.32 H new ATOM 1679 N VAL A 114 1.009 -1.461 4.234 1.00 0.12 N ATOM 1680 CA VAL A 114 0.503 -1.565 2.879 1.00 0.12 C ATOM 1681 C VAL A 114 -0.042 -2.947 2.638 1.00 0.13 C ATOM 1682 O VAL A 114 0.583 -3.930 3.025 1.00 0.16 O ATOM 1683 CB VAL A 114 1.625 -1.311 1.858 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.092 -1.109 0.445 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.461 -0.135 2.297 1.00 0.17 C ATOM 0 H VAL A 114 1.836 -2.029 4.419 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.282 -0.818 2.758 1.00 0.12 H new ATOM 0 HB VAL A 114 2.251 -2.202 1.825 1.00 0.15 H new ATOM 0 HG11 VAL A 114 1.925 -0.933 -0.236 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.547 -1.999 0.131 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.422 -0.249 0.428 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.254 0.040 1.570 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.832 0.752 2.368 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.902 -0.346 3.271 1.00 0.17 H new ATOM 1695 N THR A 115 -1.193 -3.043 2.013 1.00 0.14 N ATOM 1696 CA THR A 115 -1.660 -4.324 1.599 1.00 0.14 C ATOM 1697 C THR A 115 -1.697 -4.352 0.093 1.00 0.13 C ATOM 1698 O THR A 115 -2.452 -3.622 -0.553 1.00 0.16 O ATOM 1699 CB THR A 115 -3.020 -4.680 2.207 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.944 -4.579 3.631 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.395 -6.092 1.836 1.00 0.20 C ATOM 0 H THR A 115 -1.806 -2.259 1.788 1.00 0.14 H new ATOM 0 HA THR A 115 -0.972 -5.086 1.966 1.00 0.14 H new ATOM 0 HB THR A 115 -3.773 -3.991 1.823 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.534 -3.860 3.940 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.363 -6.338 2.272 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.453 -6.180 0.751 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.641 -6.781 2.216 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.823 -5.171 -0.433 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.620 -5.313 -1.858 1.00 0.13 C ATOM 1711 C ALA A 116 -0.773 -6.760 -2.251 1.00 0.12 C ATOM 1712 O ALA A 116 -0.282 -7.646 -1.557 1.00 0.13 O ATOM 1713 CB ALA A 116 0.759 -4.817 -2.234 1.00 0.15 C ATOM 0 H ALA A 116 -0.218 -5.772 0.127 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.365 -4.719 -2.387 1.00 0.13 H new ATOM 0 HB1 ALA A 116 0.905 -4.927 -3.309 1.00 0.15 H new ATOM 0 HB2 ALA A 116 0.855 -3.766 -1.961 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.512 -5.400 -1.704 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.469 -7.003 -3.349 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.574 -8.345 -3.887 1.00 0.13 C ATOM 1721 C ASP A 117 -0.179 -8.921 -4.063 1.00 0.11 C ATOM 1722 O ASP A 117 0.776 -8.180 -4.313 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.282 -8.340 -5.232 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.710 -9.735 -5.666 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.845 -10.523 -6.089 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.922 -10.043 -5.578 1.00 0.58 O ATOM 0 H ASP A 117 -1.967 -6.290 -3.882 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.153 -8.952 -3.192 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.159 -7.695 -5.176 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.620 -7.914 -5.987 1.00 0.16 H new ATOM 1731 N SER A 118 -0.059 -10.227 -3.934 1.00 0.13 N ATOM 1732 CA SER A 118 1.220 -10.897 -4.080 1.00 0.16 C ATOM 1733 C SER A 118 1.838 -10.574 -5.440 1.00 0.13 C ATOM 1734 O SER A 118 3.046 -10.561 -5.597 1.00 0.15 O ATOM 1735 CB SER A 118 1.030 -12.402 -3.924 1.00 0.27 C ATOM 1736 OG SER A 118 2.220 -13.044 -3.514 1.00 0.82 O ATOM 0 H SER A 118 -0.839 -10.851 -3.726 1.00 0.13 H new ATOM 0 HA SER A 118 1.899 -10.543 -3.305 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.244 -12.595 -3.194 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.697 -12.826 -4.871 1.00 0.27 H new ATOM 0 HG SER A 118 2.046 -13.998 -3.376 1.00 0.82 H new ATOM 1742 N LYS A 119 1.003 -10.294 -6.423 1.00 0.13 N ATOM 1743 CA LYS A 119 1.478 -9.873 -7.737 1.00 0.14 C ATOM 1744 C LYS A 119 2.396 -8.647 -7.637 1.00 0.14 C ATOM 1745 O LYS A 119 3.300 -8.474 -8.455 1.00 0.18 O ATOM 1746 CB LYS A 119 0.296 -9.572 -8.651 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.700 -8.621 -8.050 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.793 -8.271 -9.044 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.660 -9.472 -9.382 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.597 -9.187 -10.505 1.00 0.81 N ATOM 0 H LYS A 119 -0.012 -10.349 -6.340 1.00 0.13 H new ATOM 0 HA LYS A 119 2.060 -10.692 -8.160 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.668 -9.153 -9.586 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.209 -10.506 -8.898 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.143 -9.069 -7.160 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.191 -7.712 -7.730 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.417 -7.478 -8.632 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.342 -7.881 -9.956 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.023 -10.316 -9.647 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.230 -9.767 -8.501 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.169 -10.033 -10.703 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.223 -8.399 -10.243 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.054 -8.930 -11.354 1.00 0.81 H new ATOM 1764 N TYR A 120 2.171 -7.800 -6.630 1.00 0.13 N ATOM 1765 CA TYR A 120 3.032 -6.648 -6.398 1.00 0.15 C ATOM 1766 C TYR A 120 4.095 -6.985 -5.370 1.00 0.15 C ATOM 1767 O TYR A 120 4.944 -6.156 -5.032 1.00 0.19 O ATOM 1768 CB TYR A 120 2.212 -5.456 -5.904 1.00 0.16 C ATOM 1769 CG TYR A 120 1.093 -5.074 -6.822 1.00 0.20 C ATOM 1770 CD1 TYR A 120 1.301 -4.167 -7.839 1.00 0.28 C ATOM 1771 CD2 TYR A 120 -0.163 -5.638 -6.678 1.00 0.23 C ATOM 1772 CE1 TYR A 120 0.275 -3.830 -8.705 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -1.196 -5.309 -7.528 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.974 -4.403 -8.545 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.995 -4.079 -9.410 1.00 0.42 O ATOM 0 H TYR A 120 1.402 -7.893 -5.967 1.00 0.13 H new ATOM 0 HA TYR A 120 3.510 -6.386 -7.342 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.801 -5.691 -4.922 1.00 0.16 H new ATOM 0 HB3 TYR A 120 2.874 -4.599 -5.776 1.00 0.16 H new ATOM 0 HD1 TYR A 120 2.274 -3.715 -7.961 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.336 -6.349 -5.884 1.00 0.23 H new ATOM 0 HE1 TYR A 120 0.449 -3.123 -9.502 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -2.171 -5.756 -7.400 1.00 0.30 H new ATOM 0 HH TYR A 120 -2.826 -3.960 -8.905 1.00 0.42 H new ATOM 1785 N CYS A 121 4.044 -8.215 -4.899 1.00 0.14 N ATOM 1786 CA CYS A 121 4.905 -8.671 -3.831 1.00 0.15 C ATOM 1787 C CYS A 121 5.721 -9.880 -4.279 1.00 0.16 C ATOM 1788 O CYS A 121 6.814 -9.715 -4.804 1.00 0.18 O ATOM 1789 CB CYS A 121 4.065 -8.999 -2.604 1.00 0.14 C ATOM 1790 SG CYS A 121 3.050 -7.613 -2.037 1.00 0.16 S ATOM 0 H CYS A 121 3.402 -8.927 -5.248 1.00 0.14 H new ATOM 0 HA CYS A 121 5.606 -7.878 -3.571 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.417 -9.845 -2.832 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.724 -9.312 -1.794 1.00 0.14 H new ATOM 0 HG CYS A 121 1.981 -7.529 -2.772 1.00 0.16 H new ATOM 1796 N TYR A 122 5.196 -11.096 -4.091 1.00 0.16 N ATOM 1797 CA TYR A 122 5.896 -12.294 -4.547 1.00 0.18 C ATOM 1798 C TYR A 122 4.926 -13.365 -5.064 1.00 0.18 C ATOM 1799 O TYR A 122 5.138 -14.541 -4.807 1.00 0.20 O ATOM 1800 CB TYR A 122 6.750 -12.910 -3.425 1.00 0.19 C ATOM 1801 CG TYR A 122 7.543 -11.920 -2.595 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.824 -11.537 -2.979 1.00 0.21 C ATOM 1803 CD2 TYR A 122 7.021 -11.382 -1.424 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.559 -10.647 -2.221 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.749 -10.494 -0.664 1.00 0.20 C ATOM 1806 CZ TYR A 122 9.018 -10.129 -1.065 1.00 0.22 C ATOM 1807 OH TYR A 122 9.755 -9.256 -0.301 1.00 0.24 O ATOM 0 H TYR A 122 4.302 -11.272 -3.633 1.00 0.16 H new ATOM 0 HA TYR A 122 6.541 -11.972 -5.364 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.095 -13.473 -2.760 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.444 -13.624 -3.869 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.251 -11.942 -3.885 1.00 0.21 H new ATOM 0 HD2 TYR A 122 6.029 -11.665 -1.105 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.552 -10.359 -2.533 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.328 -10.085 0.243 1.00 0.20 H new ATOM 0 HH TYR A 122 9.231 -8.982 0.480 1.00 0.24 H new ATOM 1817 N GLY A 123 3.887 -12.966 -5.803 1.00 0.19 N ATOM 1818 CA GLY A 123 2.921 -13.921 -6.341 1.00 0.21 C ATOM 1819 C GLY A 123 3.552 -15.069 -7.114 1.00 0.21 C ATOM 1820 O GLY A 123 3.730 -16.161 -6.579 1.00 0.25 O ATOM 0 H GLY A 123 3.696 -11.993 -6.040 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.333 -14.330 -5.519 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.229 -13.392 -6.996 1.00 0.21 H new ATOM 1824 N PRO A 124 3.877 -14.868 -8.392 1.00 0.25 N ATOM 1825 CA PRO A 124 4.590 -15.860 -9.184 1.00 0.30 C ATOM 1826 C PRO A 124 6.093 -15.775 -8.942 1.00 0.30 C ATOM 1827 O PRO A 124 6.894 -16.350 -9.683 1.00 0.34 O ATOM 1828 CB PRO A 124 4.259 -15.479 -10.637 1.00 0.37 C ATOM 1829 CG PRO A 124 3.422 -14.235 -10.573 1.00 0.58 C ATOM 1830 CD PRO A 124 3.560 -13.678 -9.182 1.00 0.32 C ATOM 0 HA PRO A 124 4.299 -16.880 -8.933 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.170 -15.304 -11.209 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.719 -16.284 -11.136 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.756 -13.508 -11.314 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.379 -14.461 -10.795 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.350 -12.929 -9.122 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.641 -13.200 -8.844 1.00 0.32 H new ATOM 1838 N GLN A 125 6.460 -15.040 -7.903 1.00 0.27 N ATOM 1839 CA GLN A 125 7.862 -14.774 -7.616 1.00 0.30 C ATOM 1840 C GLN A 125 8.313 -15.619 -6.439 1.00 0.32 C ATOM 1841 O GLN A 125 9.315 -16.332 -6.500 1.00 0.39 O ATOM 1842 CB GLN A 125 8.057 -13.295 -7.293 1.00 0.30 C ATOM 1843 CG GLN A 125 7.196 -12.364 -8.130 1.00 0.33 C ATOM 1844 CD GLN A 125 7.234 -10.943 -7.617 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.264 -10.480 -7.132 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.102 -10.257 -7.685 1.00 0.29 N ATOM 0 H GLN A 125 5.806 -14.617 -7.244 1.00 0.27 H new ATOM 0 HA GLN A 125 8.459 -15.028 -8.492 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.834 -13.131 -6.239 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.105 -13.036 -7.441 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.539 -12.385 -9.164 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.167 -12.723 -8.128 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.272 -10.683 -8.097 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.061 -9.303 -7.326 1.00 0.29 H new ATOM 1855 N GLY A 126 7.536 -15.529 -5.372 1.00 0.27 N ATOM 1856 CA GLY A 126 7.869 -16.168 -4.127 1.00 0.27 C ATOM 1857 C GLY A 126 8.863 -15.366 -3.324 1.00 0.28 C ATOM 1858 O GLY A 126 9.785 -14.762 -3.874 1.00 0.30 O ATOM 0 H GLY A 126 6.659 -15.009 -5.353 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.962 -16.312 -3.540 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.280 -17.158 -4.327 1.00 0.27 H new ATOM 1862 N SER A 127 8.668 -15.358 -2.026 1.00 0.27 N ATOM 1863 CA SER A 127 9.492 -14.568 -1.138 1.00 0.28 C ATOM 1864 C SER A 127 10.691 -15.361 -0.613 1.00 0.32 C ATOM 1865 O SER A 127 10.660 -16.587 -0.537 1.00 0.33 O ATOM 1866 CB SER A 127 8.627 -14.031 0.015 1.00 0.27 C ATOM 1867 OG SER A 127 9.408 -13.453 1.045 1.00 0.30 O ATOM 0 H SER A 127 7.939 -15.895 -1.557 1.00 0.27 H new ATOM 0 HA SER A 127 9.901 -13.728 -1.700 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.930 -13.287 -0.372 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.029 -14.844 0.427 1.00 0.27 H new ATOM 0 HG SER A 127 9.672 -12.546 0.785 1.00 0.30 H new ATOM 1873 N ARG A 128 11.753 -14.615 -0.300 1.00 0.38 N ATOM 1874 CA ARG A 128 13.026 -15.155 0.185 1.00 0.42 C ATOM 1875 C ARG A 128 12.862 -16.198 1.291 1.00 0.42 C ATOM 1876 O ARG A 128 13.482 -17.261 1.233 1.00 0.52 O ATOM 1877 CB ARG A 128 13.922 -14.001 0.658 1.00 0.52 C ATOM 1878 CG ARG A 128 13.176 -12.909 1.414 1.00 1.12 C ATOM 1879 CD ARG A 128 14.076 -11.729 1.743 1.00 1.41 C ATOM 1880 NE ARG A 128 13.313 -10.604 2.290 1.00 1.81 N ATOM 1881 CZ ARG A 128 13.850 -9.444 2.669 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.157 -9.237 2.584 1.00 2.45 N ATOM 1883 NH2 ARG A 128 13.074 -8.475 3.135 1.00 3.17 N ATOM 0 H ARG A 128 11.752 -13.598 -0.378 1.00 0.38 H new ATOM 0 HA ARG A 128 13.494 -15.677 -0.650 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.706 -14.403 1.300 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.414 -13.558 -0.208 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.332 -12.566 0.816 1.00 1.12 H new ATOM 0 HG3 ARG A 128 12.767 -13.321 2.336 1.00 1.12 H new ATOM 0 HD2 ARG A 128 14.834 -12.039 2.462 1.00 1.41 H new ATOM 0 HD3 ARG A 128 14.601 -11.410 0.843 1.00 1.41 H new ATOM 0 HE ARG A 128 12.304 -10.716 2.387 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.767 -9.971 2.224 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.552 -8.344 2.878 1.00 2.45 H new ATOM 0 HH21 ARG A 128 12.066 -8.617 3.204 1.00 3.17 H new ATOM 0 HH22 ARG A 128 13.485 -7.588 3.425 1.00 3.17 H new ATOM 1897 N SER A 129 12.060 -15.901 2.303 1.00 0.42 N ATOM 1898 CA SER A 129 11.815 -16.877 3.349 1.00 0.44 C ATOM 1899 C SER A 129 10.744 -17.870 2.894 1.00 0.41 C ATOM 1900 O SER A 129 11.042 -19.052 2.719 1.00 0.44 O ATOM 1901 CB SER A 129 11.447 -16.198 4.671 1.00 0.48 C ATOM 1902 OG SER A 129 12.471 -15.311 5.085 1.00 1.23 O ATOM 0 H SER A 129 11.577 -15.010 2.420 1.00 0.42 H new ATOM 0 HA SER A 129 12.734 -17.433 3.533 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.511 -15.651 4.556 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.282 -16.954 5.439 1.00 0.48 H new ATOM 0 HG SER A 129 12.214 -14.887 5.930 1.00 1.23 H new ATOM 1908 N PRO A 130 9.479 -17.441 2.689 1.00 0.37 N ATOM 1909 CA PRO A 130 8.464 -18.285 2.112 1.00 0.36 C ATOM 1910 C PRO A 130 8.133 -17.884 0.681 1.00 0.32 C ATOM 1911 O PRO A 130 7.834 -16.725 0.422 1.00 0.27 O ATOM 1912 CB PRO A 130 7.252 -17.969 3.000 1.00 0.37 C ATOM 1913 CG PRO A 130 7.582 -16.669 3.685 1.00 0.37 C ATOM 1914 CD PRO A 130 8.867 -16.176 3.076 1.00 0.37 C ATOM 0 HA PRO A 130 8.764 -19.332 2.073 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.343 -17.879 2.405 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.081 -18.763 3.727 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.782 -15.942 3.543 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.693 -16.815 4.759 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.696 -15.520 2.223 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.477 -15.621 3.788 1.00 0.37 H new ATOM 1922 N TYR A 131 8.179 -18.821 -0.245 1.00 0.33 N ATOM 1923 CA TYR A 131 7.568 -18.598 -1.543 1.00 0.32 C ATOM 1924 C TYR A 131 6.106 -18.240 -1.317 1.00 0.30 C ATOM 1925 O TYR A 131 5.278 -19.108 -1.060 1.00 0.32 O ATOM 1926 CB TYR A 131 7.698 -19.839 -2.445 1.00 0.36 C ATOM 1927 CG TYR A 131 7.028 -19.685 -3.802 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.668 -19.920 -3.962 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.764 -19.320 -4.925 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.062 -19.801 -5.203 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.168 -19.196 -6.163 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.782 -19.371 -6.273 1.00 0.81 C ATOM 1933 OH TYR A 131 5.228 -19.325 -7.536 1.00 1.00 O ATOM 0 H TYR A 131 8.625 -19.731 -0.128 1.00 0.33 H new ATOM 0 HA TYR A 131 8.080 -17.784 -2.056 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.755 -20.058 -2.595 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.264 -20.697 -1.931 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.073 -20.200 -3.105 1.00 0.78 H new ATOM 0 HD2 TYR A 131 8.823 -19.130 -4.826 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.018 -20.050 -5.320 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.762 -18.967 -7.036 1.00 1.14 H new ATOM 0 HH TYR A 131 5.893 -18.990 -8.173 1.00 1.00 H new ATOM 1943 N ILE A 132 5.822 -16.944 -1.335 1.00 0.27 N ATOM 1944 CA ILE A 132 4.483 -16.464 -1.087 1.00 0.26 C ATOM 1945 C ILE A 132 3.566 -16.909 -2.216 1.00 0.25 C ATOM 1946 O ILE A 132 3.875 -16.684 -3.384 1.00 0.25 O ATOM 1947 CB ILE A 132 4.435 -14.922 -0.979 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.439 -14.373 0.032 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.037 -14.471 -0.616 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.378 -15.007 1.392 1.00 0.23 C ATOM 0 H ILE A 132 6.507 -16.211 -1.520 1.00 0.27 H new ATOM 0 HA ILE A 132 4.153 -16.883 -0.137 1.00 0.26 H new ATOM 0 HB ILE A 132 4.711 -14.524 -1.955 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.444 -14.503 -0.369 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.275 -13.301 0.139 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.013 -13.384 -0.542 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.338 -14.798 -1.386 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.752 -14.906 0.342 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.127 -14.552 2.040 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.387 -14.854 1.820 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.575 -16.076 1.304 1.00 0.23 H new ATOM 1962 N PRO A 133 2.446 -17.572 -1.885 1.00 0.27 N ATOM 1963 CA PRO A 133 1.460 -18.011 -2.880 1.00 0.28 C ATOM 1964 C PRO A 133 1.023 -16.873 -3.800 1.00 0.26 C ATOM 1965 O PRO A 133 0.943 -15.712 -3.378 1.00 0.26 O ATOM 1966 CB PRO A 133 0.283 -18.491 -2.026 1.00 0.34 C ATOM 1967 CG PRO A 133 0.898 -18.898 -0.735 1.00 0.61 C ATOM 1968 CD PRO A 133 2.059 -17.965 -0.518 1.00 0.31 C ATOM 0 HA PRO A 133 1.861 -18.777 -3.544 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.452 -17.699 -1.883 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.236 -19.325 -2.499 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.179 -18.823 0.081 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.232 -19.935 -0.771 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.773 -17.101 0.082 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.878 -18.459 0.005 1.00 0.31 H new ATOM 1976 N PRO A 134 0.751 -17.178 -5.080 1.00 0.27 N ATOM 1977 CA PRO A 134 0.357 -16.165 -6.049 1.00 0.25 C ATOM 1978 C PRO A 134 -0.970 -15.520 -5.684 1.00 0.27 C ATOM 1979 O PRO A 134 -1.929 -16.203 -5.323 1.00 0.32 O ATOM 1980 CB PRO A 134 0.248 -16.931 -7.370 1.00 0.29 C ATOM 1981 CG PRO A 134 0.031 -18.350 -6.965 1.00 0.52 C ATOM 1982 CD PRO A 134 0.789 -18.528 -5.676 1.00 0.33 C ATOM 0 HA PRO A 134 1.073 -15.345 -6.094 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.579 -16.561 -7.976 1.00 0.29 H new ATOM 0 HB3 PRO A 134 1.154 -16.823 -7.967 1.00 0.29 H new ATOM 0 HG2 PRO A 134 -1.030 -18.560 -6.827 1.00 0.52 H new ATOM 0 HG3 PRO A 134 0.395 -19.035 -7.731 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.318 -19.268 -5.029 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.811 -18.863 -5.852 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.988 -14.194 -5.754 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.179 -13.385 -5.466 1.00 0.31 C ATOM 1992 C HIS A 135 -2.514 -13.363 -3.976 1.00 0.32 C ATOM 1993 O HIS A 135 -3.563 -12.859 -3.587 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.402 -13.863 -6.258 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.244 -13.768 -7.740 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.663 -14.757 -8.597 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -2.708 -12.800 -8.517 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.391 -14.404 -9.837 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -2.813 -13.220 -9.819 1.00 2.25 N ATOM 0 H HIS A 135 -0.172 -13.640 -6.014 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.933 -12.371 -5.780 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.612 -14.899 -5.991 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.269 -13.275 -5.957 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -2.278 -11.870 -8.176 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.606 -14.987 -10.720 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -2.496 -12.701 -10.638 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.634 -13.903 -3.143 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.827 -13.822 -1.702 1.00 0.24 C ATOM 2010 C ALA A 136 -1.623 -12.384 -1.263 1.00 0.21 C ATOM 2011 O ALA A 136 -0.558 -11.812 -1.494 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.868 -14.746 -0.965 1.00 0.26 C ATOM 0 H ALA A 136 -0.790 -14.396 -3.435 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.839 -14.144 -1.458 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.036 -14.663 0.109 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.039 -15.775 -1.281 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.159 -14.462 -1.194 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.624 -11.796 -0.638 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.570 -10.380 -0.325 1.00 0.19 C ATOM 2020 C ALA A 137 -1.606 -10.132 0.819 1.00 0.16 C ATOM 2021 O ALA A 137 -1.836 -10.546 1.955 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.953 -9.842 0.011 1.00 0.22 C ATOM 0 H ALA A 137 -3.476 -12.270 -0.339 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.210 -9.848 -1.206 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.884 -8.779 0.242 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.616 -9.986 -0.842 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.351 -10.375 0.874 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.521 -9.462 0.501 1.00 0.13 N ATOM 2029 CA LEU A 138 0.522 -9.189 1.462 1.00 0.12 C ATOM 2030 C LEU A 138 0.251 -7.881 2.173 1.00 0.13 C ATOM 2031 O LEU A 138 -0.034 -6.870 1.541 1.00 0.15 O ATOM 2032 CB LEU A 138 1.874 -9.121 0.761 1.00 0.13 C ATOM 2033 CG LEU A 138 2.869 -10.179 1.211 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.262 -11.552 1.051 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.164 -10.066 0.435 1.00 0.19 C ATOM 0 H LEU A 138 -0.338 -9.091 -0.431 1.00 0.13 H new ATOM 0 HA LEU A 138 0.538 -9.995 2.196 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.718 -9.220 -0.313 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.308 -8.136 0.931 1.00 0.13 H new ATOM 0 HG LEU A 138 3.101 -10.019 2.264 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.979 -12.307 1.375 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.360 -11.624 1.659 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.008 -11.718 0.004 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.860 -10.833 0.775 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.964 -10.202 -0.628 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.602 -9.081 0.599 1.00 0.19 H new ATOM 2047 N CYS A 139 0.349 -7.901 3.481 1.00 0.13 N ATOM 2048 CA CYS A 139 0.173 -6.702 4.265 1.00 0.14 C ATOM 2049 C CYS A 139 1.435 -6.445 5.074 1.00 0.13 C ATOM 2050 O CYS A 139 1.696 -7.086 6.091 1.00 0.14 O ATOM 2051 CB CYS A 139 -1.070 -6.825 5.144 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.282 -5.493 6.343 1.00 1.20 S ATOM 0 H CYS A 139 0.551 -8.739 4.027 1.00 0.13 H new ATOM 0 HA CYS A 139 0.014 -5.844 3.612 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.950 -6.861 4.502 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -1.027 -7.774 5.679 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.366 -5.697 7.031 1.00 1.20 H new ATOM 2058 N LEU A 140 2.228 -5.521 4.574 1.00 0.13 N ATOM 2059 CA LEU A 140 3.559 -5.263 5.095 1.00 0.14 C ATOM 2060 C LEU A 140 3.649 -3.896 5.745 1.00 0.13 C ATOM 2061 O LEU A 140 3.119 -2.913 5.234 1.00 0.12 O ATOM 2062 CB LEU A 140 4.588 -5.382 3.974 1.00 0.17 C ATOM 2063 CG LEU A 140 4.287 -4.564 2.721 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.127 -3.297 2.700 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.524 -5.397 1.473 1.00 0.32 C ATOM 0 H LEU A 140 1.968 -4.923 3.790 1.00 0.13 H new ATOM 0 HA LEU A 140 3.770 -6.008 5.862 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.560 -5.077 4.362 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.673 -6.431 3.691 1.00 0.17 H new ATOM 0 HG LEU A 140 3.237 -4.273 2.738 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.900 -2.725 1.800 1.00 0.26 H new ATOM 0 HD12 LEU A 140 4.899 -2.695 3.580 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.184 -3.561 2.705 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.305 -4.798 0.589 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.565 -5.720 1.443 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.873 -6.271 1.490 1.00 0.32 H new ATOM 2077 N GLU A 141 4.310 -3.852 6.882 1.00 0.14 N ATOM 2078 CA GLU A 141 4.496 -2.620 7.619 1.00 0.13 C ATOM 2079 C GLU A 141 5.914 -2.094 7.373 1.00 0.12 C ATOM 2080 O GLU A 141 6.891 -2.761 7.709 1.00 0.15 O ATOM 2081 CB GLU A 141 4.245 -2.915 9.099 1.00 0.18 C ATOM 2082 CG GLU A 141 4.532 -1.772 10.053 1.00 0.26 C ATOM 2083 CD GLU A 141 4.225 -2.166 11.484 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.672 -3.246 11.918 1.00 1.00 O ATOM 2085 OE2 GLU A 141 3.556 -1.379 12.191 1.00 1.05 O ATOM 0 H GLU A 141 4.734 -4.669 7.322 1.00 0.14 H new ATOM 0 HA GLU A 141 3.799 -1.849 7.291 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.203 -3.213 9.220 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.857 -3.769 9.390 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.578 -1.479 9.970 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.935 -0.904 9.775 1.00 0.26 H new ATOM 2092 N VAL A 142 6.027 -0.929 6.741 1.00 0.12 N ATOM 2093 CA VAL A 142 7.327 -0.383 6.382 1.00 0.12 C ATOM 2094 C VAL A 142 7.622 0.944 7.081 1.00 0.12 C ATOM 2095 O VAL A 142 6.871 1.912 6.962 1.00 0.15 O ATOM 2096 CB VAL A 142 7.470 -0.204 4.854 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.724 -1.544 4.188 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.230 0.451 4.255 1.00 0.19 C ATOM 0 H VAL A 142 5.234 -0.348 6.469 1.00 0.12 H new ATOM 0 HA VAL A 142 8.058 -1.115 6.725 1.00 0.12 H new ATOM 0 HB VAL A 142 8.321 0.452 4.673 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.823 -1.403 3.112 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.643 -1.978 4.583 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.889 -2.215 4.391 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.362 0.563 3.179 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.358 -0.173 4.451 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.083 1.432 4.707 1.00 0.19 H new ATOM 2108 N THR A 143 8.710 0.957 7.828 1.00 0.13 N ATOM 2109 CA THR A 143 9.233 2.174 8.422 1.00 0.13 C ATOM 2110 C THR A 143 10.272 2.807 7.501 1.00 0.12 C ATOM 2111 O THR A 143 11.363 2.267 7.335 1.00 0.15 O ATOM 2112 CB THR A 143 9.915 1.882 9.774 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.137 0.937 10.524 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.083 3.160 10.582 1.00 0.22 C ATOM 0 H THR A 143 9.257 0.123 8.041 1.00 0.13 H new ATOM 0 HA THR A 143 8.391 2.850 8.572 1.00 0.13 H new ATOM 0 HB THR A 143 10.901 1.463 9.574 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.578 0.756 11.380 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.566 2.929 11.531 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.698 3.865 10.024 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.105 3.602 10.771 1.00 0.22 H new ATOM 2122 N LEU A 144 9.936 3.927 6.890 1.00 0.13 N ATOM 2123 CA LEU A 144 10.913 4.677 6.122 1.00 0.12 C ATOM 2124 C LEU A 144 11.724 5.524 7.075 1.00 0.12 C ATOM 2125 O LEU A 144 11.295 6.588 7.503 1.00 0.14 O ATOM 2126 CB LEU A 144 10.235 5.555 5.075 1.00 0.14 C ATOM 2127 CG LEU A 144 11.188 6.386 4.215 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.095 5.482 3.400 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.406 7.316 3.308 1.00 0.13 C ATOM 0 H LEU A 144 9.002 4.336 6.909 1.00 0.13 H new ATOM 0 HA LEU A 144 11.564 3.983 5.591 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.639 4.919 4.420 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.544 6.229 5.580 1.00 0.14 H new ATOM 0 HG LEU A 144 11.811 6.991 4.874 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.766 6.091 2.794 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.681 4.854 4.071 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.490 4.851 2.749 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.098 7.901 2.702 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.759 6.729 2.656 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.797 7.988 3.913 1.00 0.13 H new ATOM 2141 N LYS A 145 12.890 5.026 7.416 1.00 0.14 N ATOM 2142 CA LYS A 145 13.685 5.621 8.470 1.00 0.17 C ATOM 2143 C LYS A 145 14.697 6.596 7.896 1.00 0.16 C ATOM 2144 O LYS A 145 15.107 7.549 8.559 1.00 0.21 O ATOM 2145 CB LYS A 145 14.400 4.522 9.254 1.00 0.26 C ATOM 2146 CG LYS A 145 13.513 3.321 9.538 1.00 0.40 C ATOM 2147 CD LYS A 145 14.284 2.192 10.193 1.00 0.60 C ATOM 2148 CE LYS A 145 15.358 1.657 9.266 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.347 0.820 9.992 1.00 1.08 N ATOM 0 H LYS A 145 13.312 4.207 6.978 1.00 0.14 H new ATOM 0 HA LYS A 145 13.024 6.172 9.139 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.276 4.195 8.694 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.760 4.932 10.198 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.690 3.623 10.186 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.072 2.967 8.606 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.740 2.547 11.117 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.599 1.388 10.464 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.895 1.068 8.475 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.871 2.490 8.785 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.290 0.957 9.575 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.368 1.098 10.994 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.077 -0.181 9.916 1.00 1.08 H new ATOM 2163 N THR A 146 15.107 6.356 6.659 1.00 0.16 N ATOM 2164 CA THR A 146 16.117 7.190 6.031 1.00 0.19 C ATOM 2165 C THR A 146 15.978 7.187 4.517 1.00 0.17 C ATOM 2166 O THR A 146 15.499 6.218 3.927 1.00 0.16 O ATOM 2167 CB THR A 146 17.537 6.699 6.386 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.622 6.425 7.790 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.597 7.729 6.014 1.00 0.37 C ATOM 0 H THR A 146 14.758 5.596 6.075 1.00 0.16 H new ATOM 0 HA THR A 146 15.967 8.201 6.408 1.00 0.19 H new ATOM 0 HB THR A 146 17.724 5.790 5.814 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.525 6.112 8.008 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.583 7.348 6.279 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.558 7.920 4.942 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.409 8.656 6.555 1.00 0.37 H new ATOM 2177 N ALA A 147 16.401 8.279 3.903 1.00 0.20 N ATOM 2178 CA ALA A 147 16.506 8.368 2.460 1.00 0.19 C ATOM 2179 C ALA A 147 17.803 9.066 2.100 1.00 0.22 C ATOM 2180 O ALA A 147 18.086 10.143 2.625 1.00 0.25 O ATOM 2181 CB ALA A 147 15.318 9.125 1.884 1.00 0.21 C ATOM 0 H ALA A 147 16.681 9.129 4.393 1.00 0.20 H new ATOM 0 HA ALA A 147 16.503 7.364 2.035 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.414 9.182 0.800 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.396 8.604 2.140 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.292 10.132 2.299 1.00 0.21 H new ATOM 2187 N VAL A 148 18.600 8.465 1.223 1.00 0.24 N ATOM 2188 CA VAL A 148 19.875 9.064 0.855 1.00 0.31 C ATOM 2189 C VAL A 148 20.071 9.006 -0.646 1.00 0.34 C ATOM 2190 O VAL A 148 19.878 7.966 -1.275 1.00 0.36 O ATOM 2191 CB VAL A 148 21.083 8.412 1.580 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.954 8.586 3.086 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.217 6.937 1.237 1.00 0.75 C ATOM 0 H VAL A 148 18.390 7.580 0.762 1.00 0.24 H new ATOM 0 HA VAL A 148 19.837 10.104 1.179 1.00 0.31 H new ATOM 0 HB VAL A 148 21.984 8.919 1.234 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.808 8.124 3.580 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.926 9.648 3.328 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.035 8.111 3.430 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.074 6.517 1.764 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.312 6.410 1.538 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.362 6.825 0.162 1.00 0.75 H new