USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 872 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 86 LYS NZ :NH3+ 180:sc= 1.46 (180deg=0.513) USER MOD Set 1.2: A 87 SER OG : rot -84:sc= 2.2 USER MOD Set 2.1: A 66 LYS NZ :NH3+ 153:sc= 0.613 (180deg=0.262) USER MOD Set 2.2: A 84 HIS : no HE2:sc= 0.331 K(o=0.94,f=-3.6) USER MOD Set 3.1: A 53 TYR OH : rot 151:sc= -0.519 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -162:sc= 0.857 (180deg=0.332) USER MOD Single : A 39 HIS : no HD1:sc= -0.258 K(o=-0.26,f=-1.2) USER MOD Single : A 40 THR OG1 : rot -80:sc= -0.186 USER MOD Single : A 41 SER OG : rot 74:sc= 0.393 USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -0.493 (180deg=-1.87) USER MOD Single : A 52 THR OG1 : rot -49:sc= 0.2 USER MOD Single : A 56 THR OG1 : rot 45:sc= 0.497 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 69 TYR OH : rot 180:sc= 0.954 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.24 X(o=-1.2,f=-0.89) USER MOD Single : A 79 ASN : amide:sc= 0.537 K(o=0.54,f=-4.6!) USER MOD Single : A 81 LYS NZ :NH3+ 176:sc= 0.789 (180deg=0.192) USER MOD Single : A 91 ASN : amide:sc= 2.56 K(o=2.6,f=-12!) USER MOD Single : A 100 LYS NZ :NH3+ 142:sc= -0.294 (180deg=-3.75!) USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= -1.17! (180deg=-1.49!) USER MOD Single : A 106 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-2.3) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -146:sc= 1.3 USER MOD Single : A 115 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 116 ASN : amide:sc= 0.496 K(o=0.5,f=-1.9!) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.0214 F(o=-1,f=-0.021) USER MOD Single : A 120 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.09) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 175:sc= 0.8 USER MOD Single : A 124 SER OG : rot 38:sc= 0.603 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.83) USER MOD Single : A 138 SER OG : rot 10:sc= 0.902 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 145 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.0071) USER MOD Single : A 149 HIS : no HE2:sc= -0.0158 K(o=-0.016,f=-5.7!) USER MOD Single : A 155 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.07) USER MOD Single : A 156 GLN : amide:sc= -0.695 X(o=-0.7,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -9.621 -13.426 -3.382 1.00 2.27 N ATOM 561 CA GLY A 37 -9.950 -12.399 -4.360 1.00 1.85 C ATOM 562 C GLY A 37 -11.462 -12.171 -4.436 1.00 1.80 C ATOM 563 O GLY A 37 -11.978 -11.240 -3.809 1.00 2.50 O ATOM 0 HA2 GLY A 37 -9.452 -11.467 -4.094 1.00 1.85 H new ATOM 0 HA3 GLY A 37 -9.574 -12.693 -5.340 1.00 1.85 H new ATOM 567 N GLU A 38 -12.166 -13.005 -5.206 1.00 1.63 N ATOM 568 CA GLU A 38 -13.584 -12.899 -5.511 1.00 1.67 C ATOM 569 C GLU A 38 -13.957 -11.524 -6.059 1.00 1.49 C ATOM 570 O GLU A 38 -14.061 -11.339 -7.267 1.00 1.51 O ATOM 571 CB GLU A 38 -14.472 -13.235 -4.305 1.00 2.04 C ATOM 572 CG GLU A 38 -14.423 -14.694 -3.857 1.00 2.42 C ATOM 573 CD GLU A 38 -15.569 -14.968 -2.894 1.00 3.40 C ATOM 574 OE1 GLU A 38 -16.015 -14.023 -2.206 1.00 4.61 O ATOM 575 OE2 GLU A 38 -16.093 -16.101 -2.871 1.00 3.73 O ATOM 0 H GLU A 38 -11.734 -13.813 -5.654 1.00 1.63 H new ATOM 0 HA GLU A 38 -13.770 -13.642 -6.287 1.00 1.67 H new ATOM 0 HB2 GLU A 38 -14.177 -12.603 -3.468 1.00 2.04 H new ATOM 0 HB3 GLU A 38 -15.503 -12.980 -4.549 1.00 2.04 H new ATOM 0 HG2 GLU A 38 -14.495 -15.354 -4.722 1.00 2.42 H new ATOM 0 HG3 GLU A 38 -13.469 -14.905 -3.373 1.00 2.42 H new ATOM 582 N HIS A 39 -14.255 -10.566 -5.176 1.00 1.55 N ATOM 583 CA HIS A 39 -14.912 -9.345 -5.579 1.00 1.64 C ATOM 584 C HIS A 39 -13.949 -8.510 -6.427 1.00 1.53 C ATOM 585 O HIS A 39 -14.313 -8.044 -7.501 1.00 1.63 O ATOM 586 CB HIS A 39 -15.455 -8.629 -4.340 1.00 1.98 C ATOM 587 CG HIS A 39 -16.548 -9.391 -3.618 1.00 2.58 C ATOM 588 ND1 HIS A 39 -16.463 -10.661 -3.082 1.00 2.89 N ATOM 589 CD2 HIS A 39 -17.811 -8.928 -3.363 1.00 3.79 C ATOM 590 CE1 HIS A 39 -17.651 -10.951 -2.529 1.00 3.77 C ATOM 591 NE2 HIS A 39 -18.505 -9.926 -2.672 1.00 4.31 N ATOM 0 H HIS A 39 -14.046 -10.624 -4.179 1.00 1.55 H new ATOM 0 HA HIS A 39 -15.776 -9.544 -6.213 1.00 1.64 H new ATOM 0 HB2 HIS A 39 -14.633 -8.449 -3.647 1.00 1.98 H new ATOM 0 HB3 HIS A 39 -15.841 -7.654 -4.636 1.00 1.98 H new ATOM 0 HD2 HIS A 39 -18.202 -7.962 -3.646 1.00 3.79 H new ATOM 0 HE1 HIS A 39 -17.887 -11.882 -2.036 1.00 3.77 H new ATOM 0 HE2 HIS A 39 -19.469 -9.883 -2.342 1.00 4.31 H new ATOM 599 N THR A 40 -12.698 -8.359 -5.976 1.00 1.52 N ATOM 600 CA THR A 40 -11.718 -7.544 -6.690 1.00 1.60 C ATOM 601 C THR A 40 -11.514 -8.023 -8.129 1.00 1.45 C ATOM 602 O THR A 40 -11.317 -7.213 -9.031 1.00 1.64 O ATOM 603 CB THR A 40 -10.389 -7.456 -5.920 1.00 1.83 C ATOM 604 OG1 THR A 40 -9.496 -6.586 -6.589 1.00 3.15 O ATOM 605 CG2 THR A 40 -9.709 -8.812 -5.709 1.00 2.00 C ATOM 0 H THR A 40 -12.345 -8.791 -5.122 1.00 1.52 H new ATOM 0 HA THR A 40 -12.123 -6.534 -6.751 1.00 1.60 H new ATOM 0 HB THR A 40 -10.639 -7.069 -4.932 1.00 1.83 H new ATOM 0 HG1 THR A 40 -9.075 -7.061 -7.336 1.00 3.15 H new ATOM 0 HG21 THR A 40 -8.778 -8.671 -5.159 1.00 2.00 H new ATOM 0 HG22 THR A 40 -10.370 -9.466 -5.141 1.00 2.00 H new ATOM 0 HG23 THR A 40 -9.494 -9.266 -6.677 1.00 2.00 H new ATOM 613 N SER A 41 -11.507 -9.336 -8.321 1.00 1.32 N ATOM 614 CA SER A 41 -11.374 -10.009 -9.596 1.00 1.16 C ATOM 615 C SER A 41 -12.662 -9.787 -10.398 1.00 1.22 C ATOM 616 O SER A 41 -12.640 -9.190 -11.477 1.00 1.27 O ATOM 617 CB SER A 41 -11.072 -11.493 -9.301 1.00 1.26 C ATOM 618 OG SER A 41 -11.240 -11.761 -7.914 1.00 2.68 O ATOM 0 H SER A 41 -11.599 -9.991 -7.545 1.00 1.32 H new ATOM 0 HA SER A 41 -10.558 -9.619 -10.204 1.00 1.16 H new ATOM 0 HB2 SER A 41 -11.736 -12.130 -9.885 1.00 1.26 H new ATOM 0 HB3 SER A 41 -10.053 -11.732 -9.604 1.00 1.26 H new ATOM 0 HG SER A 41 -12.196 -11.783 -7.698 1.00 2.68 H new ATOM 624 N PHE A 42 -13.781 -10.241 -9.823 1.00 1.33 N ATOM 625 CA PHE A 42 -15.145 -10.133 -10.335 1.00 1.52 C ATOM 626 C PHE A 42 -15.453 -8.753 -10.917 1.00 1.59 C ATOM 627 O PHE A 42 -16.059 -8.677 -11.984 1.00 1.74 O ATOM 628 CB PHE A 42 -16.124 -10.476 -9.208 1.00 1.75 C ATOM 629 CG PHE A 42 -17.588 -10.234 -9.503 1.00 1.89 C ATOM 630 CD1 PHE A 42 -18.388 -11.272 -10.014 1.00 2.66 C ATOM 631 CD2 PHE A 42 -18.170 -8.991 -9.184 1.00 2.55 C ATOM 632 CE1 PHE A 42 -19.767 -11.073 -10.194 1.00 2.91 C ATOM 633 CE2 PHE A 42 -19.547 -8.790 -9.377 1.00 2.61 C ATOM 634 CZ PHE A 42 -20.347 -9.831 -9.880 1.00 2.29 C ATOM 0 H PHE A 42 -13.752 -10.726 -8.926 1.00 1.33 H new ATOM 0 HA PHE A 42 -15.254 -10.839 -11.159 1.00 1.52 H new ATOM 0 HB2 PHE A 42 -15.995 -11.527 -8.949 1.00 1.75 H new ATOM 0 HB3 PHE A 42 -15.851 -9.895 -8.327 1.00 1.75 H new ATOM 0 HD1 PHE A 42 -17.942 -12.222 -10.268 1.00 2.66 H new ATOM 0 HD2 PHE A 42 -17.558 -8.193 -8.791 1.00 2.55 H new ATOM 0 HE1 PHE A 42 -20.383 -11.875 -10.574 1.00 2.91 H new ATOM 0 HE2 PHE A 42 -19.991 -7.835 -9.139 1.00 2.61 H new ATOM 0 HZ PHE A 42 -21.406 -9.677 -10.025 1.00 2.29 H new ATOM 644 N ASP A 43 -15.047 -7.675 -10.231 1.00 1.58 N ATOM 645 CA ASP A 43 -15.242 -6.297 -10.684 1.00 1.80 C ATOM 646 C ASP A 43 -14.834 -6.109 -12.153 1.00 1.78 C ATOM 647 O ASP A 43 -15.439 -5.285 -12.839 1.00 2.37 O ATOM 648 CB ASP A 43 -14.498 -5.311 -9.767 1.00 1.87 C ATOM 649 CG ASP A 43 -15.296 -4.896 -8.531 1.00 2.07 C ATOM 650 OD1 ASP A 43 -16.149 -5.689 -8.076 1.00 3.11 O ATOM 651 OD2 ASP A 43 -15.042 -3.765 -8.059 1.00 2.59 O ATOM 0 H ASP A 43 -14.567 -7.741 -9.333 1.00 1.58 H new ATOM 0 HA ASP A 43 -16.309 -6.082 -10.623 1.00 1.80 H new ATOM 0 HB2 ASP A 43 -13.560 -5.764 -9.447 1.00 1.87 H new ATOM 0 HB3 ASP A 43 -14.242 -4.419 -10.339 1.00 1.87 H new ATOM 656 N LYS A 44 -13.853 -6.894 -12.627 1.00 1.32 N ATOM 657 CA LYS A 44 -13.487 -7.207 -14.008 1.00 1.36 C ATOM 658 C LYS A 44 -12.017 -6.891 -14.178 1.00 1.45 C ATOM 659 O LYS A 44 -11.633 -6.066 -15.007 1.00 1.84 O ATOM 660 CB LYS A 44 -14.356 -6.568 -15.100 1.00 1.75 C ATOM 661 CG LYS A 44 -15.735 -7.238 -15.129 1.00 2.69 C ATOM 662 CD LYS A 44 -16.867 -6.347 -15.655 1.00 3.10 C ATOM 663 CE LYS A 44 -16.701 -5.909 -17.117 1.00 3.93 C ATOM 664 NZ LYS A 44 -15.642 -4.893 -17.285 1.00 4.34 N ATOM 0 H LYS A 44 -13.232 -7.375 -11.976 1.00 1.32 H new ATOM 0 HA LYS A 44 -13.683 -8.268 -14.160 1.00 1.36 H new ATOM 0 HB2 LYS A 44 -14.465 -5.500 -14.912 1.00 1.75 H new ATOM 0 HB3 LYS A 44 -13.871 -6.673 -16.070 1.00 1.75 H new ATOM 0 HG2 LYS A 44 -15.677 -8.133 -15.749 1.00 2.69 H new ATOM 0 HG3 LYS A 44 -15.987 -7.565 -14.120 1.00 2.69 H new ATOM 0 HD2 LYS A 44 -17.811 -6.882 -15.554 1.00 3.10 H new ATOM 0 HD3 LYS A 44 -16.935 -5.458 -15.028 1.00 3.10 H new ATOM 0 HE2 LYS A 44 -16.466 -6.779 -17.729 1.00 3.93 H new ATOM 0 HE3 LYS A 44 -17.646 -5.508 -17.483 1.00 3.93 H new ATOM 0 HZ1 LYS A 44 -15.908 -4.237 -18.047 1.00 4.34 H new ATOM 0 HZ2 LYS A 44 -15.524 -4.364 -16.397 1.00 4.34 H new ATOM 0 HZ3 LYS A 44 -14.747 -5.362 -17.530 1.00 4.34 H new ATOM 678 N LEU A 45 -11.213 -7.581 -13.375 1.00 1.30 N ATOM 679 CA LEU A 45 -9.767 -7.516 -13.432 1.00 1.46 C ATOM 680 C LEU A 45 -9.218 -8.868 -13.915 1.00 1.57 C ATOM 681 O LEU A 45 -9.798 -9.907 -13.605 1.00 2.20 O ATOM 682 CB LEU A 45 -9.199 -7.139 -12.060 1.00 1.60 C ATOM 683 CG LEU A 45 -9.530 -5.716 -11.573 1.00 1.48 C ATOM 684 CD1 LEU A 45 -8.744 -5.465 -10.284 1.00 1.93 C ATOM 685 CD2 LEU A 45 -9.171 -4.629 -12.594 1.00 2.58 C ATOM 0 H LEU A 45 -11.561 -8.212 -12.654 1.00 1.30 H new ATOM 0 HA LEU A 45 -9.460 -6.744 -14.138 1.00 1.46 H new ATOM 0 HB2 LEU A 45 -9.571 -7.852 -11.324 1.00 1.60 H new ATOM 0 HB3 LEU A 45 -8.115 -7.250 -12.092 1.00 1.60 H new ATOM 0 HG LEU A 45 -10.607 -5.659 -11.417 1.00 1.48 H new ATOM 0 HD11 LEU A 45 -8.960 -4.462 -9.916 1.00 1.93 H new ATOM 0 HD12 LEU A 45 -9.035 -6.198 -9.532 1.00 1.93 H new ATOM 0 HD13 LEU A 45 -7.677 -5.556 -10.485 1.00 1.93 H new ATOM 0 HD21 LEU A 45 -9.429 -3.650 -12.189 1.00 2.58 H new ATOM 0 HD22 LEU A 45 -8.102 -4.665 -12.803 1.00 2.58 H new ATOM 0 HD23 LEU A 45 -9.727 -4.798 -13.516 1.00 2.58 H new ATOM 697 N PRO A 46 -8.123 -8.857 -14.692 1.00 1.32 N ATOM 698 CA PRO A 46 -7.455 -10.048 -15.206 1.00 1.48 C ATOM 699 C PRO A 46 -6.714 -10.786 -14.096 1.00 1.32 C ATOM 700 O PRO A 46 -6.565 -10.246 -13.007 1.00 1.44 O ATOM 701 CB PRO A 46 -6.423 -9.510 -16.205 1.00 1.85 C ATOM 702 CG PRO A 46 -6.099 -8.110 -15.683 1.00 1.87 C ATOM 703 CD PRO A 46 -7.438 -7.650 -15.115 1.00 1.54 C ATOM 0 HA PRO A 46 -8.170 -10.745 -15.643 1.00 1.48 H new ATOM 0 HB2 PRO A 46 -5.534 -10.139 -16.238 1.00 1.85 H new ATOM 0 HB3 PRO A 46 -6.827 -9.475 -17.217 1.00 1.85 H new ATOM 0 HG2 PRO A 46 -5.321 -8.132 -14.920 1.00 1.87 H new ATOM 0 HG3 PRO A 46 -5.748 -7.452 -16.478 1.00 1.87 H new ATOM 0 HD2 PRO A 46 -7.294 -6.968 -14.277 1.00 1.54 H new ATOM 0 HD3 PRO A 46 -8.018 -7.114 -15.866 1.00 1.54 H new ATOM 711 N GLU A 47 -6.125 -11.945 -14.416 1.00 1.82 N ATOM 712 CA GLU A 47 -5.026 -12.520 -13.647 1.00 2.27 C ATOM 713 C GLU A 47 -3.679 -12.044 -14.218 1.00 1.95 C ATOM 714 O GLU A 47 -2.755 -12.824 -14.441 1.00 2.73 O ATOM 715 CB GLU A 47 -5.142 -14.045 -13.588 1.00 3.29 C ATOM 716 CG GLU A 47 -5.222 -14.736 -14.958 1.00 3.72 C ATOM 717 CD GLU A 47 -5.012 -16.240 -14.810 1.00 4.95 C ATOM 718 OE1 GLU A 47 -4.935 -16.699 -13.652 1.00 6.01 O ATOM 719 OE2 GLU A 47 -4.907 -16.930 -15.846 1.00 5.31 O ATOM 0 H GLU A 47 -6.402 -12.509 -15.220 1.00 1.82 H new ATOM 0 HA GLU A 47 -5.082 -12.169 -12.617 1.00 2.27 H new ATOM 0 HB2 GLU A 47 -4.283 -14.440 -13.046 1.00 3.29 H new ATOM 0 HB3 GLU A 47 -6.030 -14.306 -13.012 1.00 3.29 H new ATOM 0 HG2 GLU A 47 -6.193 -14.541 -15.414 1.00 3.72 H new ATOM 0 HG3 GLU A 47 -4.467 -14.321 -15.626 1.00 3.72 H new ATOM 726 N GLY A 48 -3.563 -10.736 -14.459 1.00 1.46 N ATOM 727 CA GLY A 48 -2.306 -10.108 -14.829 1.00 1.76 C ATOM 728 C GLY A 48 -1.303 -10.167 -13.675 1.00 0.96 C ATOM 729 O GLY A 48 -1.606 -10.693 -12.610 1.00 1.78 O ATOM 0 H GLY A 48 -4.346 -10.085 -14.401 1.00 1.46 H new ATOM 0 HA2 GLY A 48 -1.889 -10.608 -15.704 1.00 1.76 H new ATOM 0 HA3 GLY A 48 -2.483 -9.070 -15.109 1.00 1.76 H new ATOM 733 N GLY A 49 -0.121 -9.569 -13.858 1.00 1.23 N ATOM 734 CA GLY A 49 0.981 -9.716 -12.908 1.00 0.91 C ATOM 735 C GLY A 49 1.547 -8.409 -12.341 1.00 1.05 C ATOM 736 O GLY A 49 2.535 -8.455 -11.607 1.00 1.80 O ATOM 0 H GLY A 49 0.095 -8.977 -14.660 1.00 1.23 H new ATOM 0 HA2 GLY A 49 0.640 -10.334 -12.077 1.00 0.91 H new ATOM 0 HA3 GLY A 49 1.789 -10.258 -13.398 1.00 0.91 H new ATOM 740 N ARG A 50 1.038 -7.252 -12.768 1.00 0.73 N ATOM 741 CA ARG A 50 1.421 -5.912 -12.320 1.00 0.82 C ATOM 742 C ARG A 50 0.272 -4.961 -12.640 1.00 0.88 C ATOM 743 O ARG A 50 -0.032 -4.774 -13.816 1.00 1.26 O ATOM 744 CB ARG A 50 2.753 -5.419 -12.929 1.00 0.94 C ATOM 745 CG ARG A 50 3.060 -5.870 -14.374 1.00 2.27 C ATOM 746 CD ARG A 50 4.331 -6.735 -14.474 1.00 2.56 C ATOM 747 NE ARG A 50 4.302 -7.830 -13.494 1.00 2.88 N ATOM 748 CZ ARG A 50 4.864 -9.044 -13.563 1.00 3.94 C ATOM 749 NH1 ARG A 50 5.707 -9.349 -14.555 1.00 4.96 N ATOM 750 NH2 ARG A 50 4.551 -9.938 -12.619 1.00 4.70 N ATOM 0 H ARG A 50 0.305 -7.224 -13.477 1.00 0.73 H new ATOM 0 HA ARG A 50 1.602 -5.944 -11.246 1.00 0.82 H new ATOM 0 HB2 ARG A 50 2.757 -4.329 -12.904 1.00 0.94 H new ATOM 0 HB3 ARG A 50 3.567 -5.755 -12.287 1.00 0.94 H new ATOM 0 HG2 ARG A 50 2.211 -6.434 -14.761 1.00 2.27 H new ATOM 0 HG3 ARG A 50 3.174 -4.990 -15.007 1.00 2.27 H new ATOM 0 HD2 ARG A 50 4.418 -7.145 -15.480 1.00 2.56 H new ATOM 0 HD3 ARG A 50 5.211 -6.115 -14.306 1.00 2.56 H new ATOM 0 HE ARG A 50 3.779 -7.638 -12.639 1.00 2.88 H new ATOM 0 HH11 ARG A 50 5.928 -8.654 -15.269 1.00 4.96 H new ATOM 0 HH12 ARG A 50 6.130 -10.276 -14.598 1.00 4.96 H new ATOM 0 HH21 ARG A 50 3.901 -9.687 -11.874 1.00 4.70 H new ATOM 0 HH22 ARG A 50 4.962 -10.871 -12.644 1.00 4.70 H new ATOM 764 N ALA A 51 -0.380 -4.383 -11.625 1.00 0.83 N ATOM 765 CA ALA A 51 -1.393 -3.358 -11.814 1.00 0.84 C ATOM 766 C ALA A 51 -0.776 -1.994 -11.569 1.00 0.63 C ATOM 767 O ALA A 51 0.234 -1.872 -10.879 1.00 1.14 O ATOM 768 CB ALA A 51 -2.548 -3.547 -10.841 1.00 1.33 C ATOM 0 H ALA A 51 -0.213 -4.620 -10.647 1.00 0.83 H new ATOM 0 HA ALA A 51 -1.771 -3.434 -12.834 1.00 0.84 H new ATOM 0 HB1 ALA A 51 -3.292 -2.767 -11.003 1.00 1.33 H new ATOM 0 HB2 ALA A 51 -3.004 -4.523 -11.003 1.00 1.33 H new ATOM 0 HB3 ALA A 51 -2.176 -3.486 -9.818 1.00 1.33 H new ATOM 774 N THR A 52 -1.421 -0.961 -12.098 1.00 0.62 N ATOM 775 CA THR A 52 -0.896 0.390 -12.099 1.00 0.77 C ATOM 776 C THR A 52 -1.162 1.080 -10.749 1.00 1.00 C ATOM 777 O THR A 52 -1.672 2.189 -10.693 1.00 1.46 O ATOM 778 CB THR A 52 -1.523 1.096 -13.323 1.00 1.07 C ATOM 779 OG1 THR A 52 -1.027 2.409 -13.483 1.00 1.50 O ATOM 780 CG2 THR A 52 -3.067 1.082 -13.322 1.00 1.23 C ATOM 0 H THR A 52 -2.335 -1.044 -12.543 1.00 0.62 H new ATOM 0 HA THR A 52 0.189 0.421 -12.198 1.00 0.77 H new ATOM 0 HB THR A 52 -1.214 0.507 -14.186 1.00 1.07 H new ATOM 0 HG1 THR A 52 -1.071 2.882 -12.626 1.00 1.50 H new ATOM 0 HG21 THR A 52 -3.436 1.595 -14.210 1.00 1.23 H new ATOM 0 HG22 THR A 52 -3.422 0.051 -13.325 1.00 1.23 H new ATOM 0 HG23 THR A 52 -3.435 1.590 -12.430 1.00 1.23 H new ATOM 788 N TYR A 53 -0.715 0.487 -9.641 1.00 1.34 N ATOM 789 CA TYR A 53 -0.953 1.003 -8.293 1.00 1.90 C ATOM 790 C TYR A 53 -0.004 2.175 -7.980 1.00 1.88 C ATOM 791 O TYR A 53 0.787 2.110 -7.041 1.00 2.45 O ATOM 792 CB TYR A 53 -0.795 -0.148 -7.278 1.00 2.29 C ATOM 793 CG TYR A 53 -1.997 -1.049 -7.064 1.00 2.06 C ATOM 794 CD1 TYR A 53 -2.241 -1.559 -5.774 1.00 2.90 C ATOM 795 CD2 TYR A 53 -2.895 -1.341 -8.108 1.00 2.61 C ATOM 796 CE1 TYR A 53 -3.444 -2.230 -5.500 1.00 2.97 C ATOM 797 CE2 TYR A 53 -4.072 -2.060 -7.842 1.00 3.09 C ATOM 798 CZ TYR A 53 -4.391 -2.408 -6.520 1.00 2.74 C ATOM 799 OH TYR A 53 -5.605 -2.946 -6.211 1.00 3.48 O ATOM 0 H TYR A 53 -0.171 -0.376 -9.655 1.00 1.34 H new ATOM 0 HA TYR A 53 -1.969 1.392 -8.223 1.00 1.90 H new ATOM 0 HB2 TYR A 53 0.041 -0.770 -7.598 1.00 2.29 H new ATOM 0 HB3 TYR A 53 -0.520 0.284 -6.316 1.00 2.29 H new ATOM 0 HD1 TYR A 53 -1.503 -1.434 -4.995 1.00 2.90 H new ATOM 0 HD2 TYR A 53 -2.679 -1.012 -9.114 1.00 2.61 H new ATOM 0 HE1 TYR A 53 -3.640 -2.608 -4.507 1.00 2.97 H new ATOM 0 HE2 TYR A 53 -4.729 -2.344 -8.651 1.00 3.09 H new ATOM 0 HH TYR A 53 -6.281 -2.608 -6.835 1.00 3.48 H new ATOM 809 N ARG A 54 -0.058 3.254 -8.764 1.00 1.50 N ATOM 810 CA ARG A 54 0.783 4.421 -8.537 1.00 1.37 C ATOM 811 C ARG A 54 0.124 5.305 -7.477 1.00 1.17 C ATOM 812 O ARG A 54 -1.087 5.540 -7.524 1.00 1.55 O ATOM 813 CB ARG A 54 0.967 5.207 -9.843 1.00 1.55 C ATOM 814 CG ARG A 54 1.742 4.379 -10.880 1.00 1.81 C ATOM 815 CD ARG A 54 2.492 5.287 -11.865 1.00 1.75 C ATOM 816 NE ARG A 54 3.338 4.510 -12.791 1.00 2.97 N ATOM 817 CZ ARG A 54 4.270 5.041 -13.603 1.00 3.69 C ATOM 818 NH1 ARG A 54 4.436 6.368 -13.639 1.00 3.37 N ATOM 819 NH2 ARG A 54 5.041 4.258 -14.368 1.00 5.22 N ATOM 0 H ARG A 54 -0.682 3.339 -9.566 1.00 1.50 H new ATOM 0 HA ARG A 54 1.766 4.102 -8.190 1.00 1.37 H new ATOM 0 HB2 ARG A 54 -0.008 5.482 -10.247 1.00 1.55 H new ATOM 0 HB3 ARG A 54 1.501 6.135 -9.641 1.00 1.55 H new ATOM 0 HG2 ARG A 54 2.451 3.725 -10.372 1.00 1.81 H new ATOM 0 HG3 ARG A 54 1.051 3.737 -11.427 1.00 1.81 H new ATOM 0 HD2 ARG A 54 1.774 5.876 -12.436 1.00 1.75 H new ATOM 0 HD3 ARG A 54 3.112 5.991 -11.310 1.00 1.75 H new ATOM 0 HE ARG A 54 3.207 3.499 -12.817 1.00 2.97 H new ATOM 0 HH11 ARG A 54 3.858 6.970 -13.053 1.00 3.37 H new ATOM 0 HH12 ARG A 54 5.141 6.777 -14.252 1.00 3.37 H new ATOM 0 HH21 ARG A 54 4.926 3.245 -14.340 1.00 5.22 H new ATOM 0 HH22 ARG A 54 5.744 4.675 -14.979 1.00 5.22 H new ATOM 833 N GLY A 55 0.906 5.824 -6.526 1.00 0.76 N ATOM 834 CA GLY A 55 0.347 6.731 -5.542 1.00 0.59 C ATOM 835 C GLY A 55 1.400 7.455 -4.721 1.00 0.50 C ATOM 836 O GLY A 55 2.600 7.247 -4.896 1.00 0.55 O ATOM 0 H GLY A 55 1.903 5.633 -6.424 1.00 0.76 H new ATOM 0 HA2 GLY A 55 -0.276 7.467 -6.050 1.00 0.59 H new ATOM 0 HA3 GLY A 55 -0.304 6.171 -4.871 1.00 0.59 H new ATOM 840 N THR A 56 0.919 8.310 -3.822 1.00 0.58 N ATOM 841 CA THR A 56 1.687 9.148 -2.928 1.00 0.74 C ATOM 842 C THR A 56 1.248 8.798 -1.509 1.00 0.74 C ATOM 843 O THR A 56 0.209 9.269 -1.042 1.00 1.25 O ATOM 844 CB THR A 56 1.396 10.619 -3.255 1.00 0.96 C ATOM 845 OG1 THR A 56 -0.002 10.819 -3.295 1.00 2.13 O ATOM 846 CG2 THR A 56 1.992 11.011 -4.610 1.00 1.78 C ATOM 0 H THR A 56 -0.085 8.438 -3.697 1.00 0.58 H new ATOM 0 HA THR A 56 2.760 8.989 -3.033 1.00 0.74 H new ATOM 0 HB THR A 56 1.850 11.239 -2.482 1.00 0.96 H new ATOM 0 HG1 THR A 56 -0.419 10.370 -2.530 1.00 2.13 H new ATOM 0 HG21 THR A 56 1.770 12.058 -4.816 1.00 1.78 H new ATOM 0 HG22 THR A 56 3.072 10.866 -4.588 1.00 1.78 H new ATOM 0 HG23 THR A 56 1.558 10.388 -5.392 1.00 1.78 H new ATOM 854 N ALA A 57 2.048 7.985 -0.825 1.00 0.61 N ATOM 855 CA ALA A 57 1.836 7.635 0.564 1.00 0.63 C ATOM 856 C ALA A 57 2.334 8.816 1.396 1.00 0.65 C ATOM 857 O ALA A 57 3.420 8.778 1.975 1.00 0.87 O ATOM 858 CB ALA A 57 2.594 6.340 0.850 1.00 0.68 C ATOM 0 H ALA A 57 2.874 7.547 -1.233 1.00 0.61 H new ATOM 0 HA ALA A 57 0.789 7.455 0.810 1.00 0.63 H new ATOM 0 HB1 ALA A 57 2.449 6.056 1.892 1.00 0.68 H new ATOM 0 HB2 ALA A 57 2.218 5.548 0.202 1.00 0.68 H new ATOM 0 HB3 ALA A 57 3.657 6.491 0.660 1.00 0.68 H new ATOM 864 N PHE A 58 1.540 9.887 1.381 1.00 0.64 N ATOM 865 CA PHE A 58 1.861 11.178 1.973 1.00 0.73 C ATOM 866 C PHE A 58 1.617 11.129 3.481 1.00 0.71 C ATOM 867 O PHE A 58 0.637 10.550 3.950 1.00 0.69 O ATOM 868 CB PHE A 58 1.106 12.294 1.241 1.00 0.90 C ATOM 869 CG PHE A 58 -0.315 12.531 1.714 1.00 0.87 C ATOM 870 CD1 PHE A 58 -1.377 11.757 1.213 1.00 2.05 C ATOM 871 CD2 PHE A 58 -0.559 13.483 2.722 1.00 1.74 C ATOM 872 CE1 PHE A 58 -2.676 11.937 1.719 1.00 2.11 C ATOM 873 CE2 PHE A 58 -1.854 13.648 3.240 1.00 1.84 C ATOM 874 CZ PHE A 58 -2.915 12.878 2.736 1.00 1.18 C ATOM 0 H PHE A 58 0.621 9.874 0.938 1.00 0.64 H new ATOM 0 HA PHE A 58 2.919 11.409 1.848 1.00 0.73 H new ATOM 0 HB2 PHE A 58 1.667 13.222 1.349 1.00 0.90 H new ATOM 0 HB3 PHE A 58 1.083 12.058 0.177 1.00 0.90 H new ATOM 0 HD1 PHE A 58 -1.195 11.025 0.440 1.00 2.05 H new ATOM 0 HD2 PHE A 58 0.252 14.088 3.098 1.00 1.74 H new ATOM 0 HE1 PHE A 58 -3.493 11.351 1.325 1.00 2.11 H new ATOM 0 HE2 PHE A 58 -2.034 14.367 4.026 1.00 1.84 H new ATOM 0 HZ PHE A 58 -3.913 13.008 3.129 1.00 1.18 H new ATOM 884 N GLY A 59 2.547 11.688 4.253 1.00 0.78 N ATOM 885 CA GLY A 59 2.500 11.604 5.700 1.00 0.82 C ATOM 886 C GLY A 59 1.484 12.596 6.251 1.00 0.99 C ATOM 887 O GLY A 59 1.118 13.546 5.565 1.00 1.14 O ATOM 0 H GLY A 59 3.347 12.207 3.890 1.00 0.78 H new ATOM 0 HA2 GLY A 59 2.233 10.592 6.004 1.00 0.82 H new ATOM 0 HA3 GLY A 59 3.486 11.813 6.116 1.00 0.82 H new ATOM 891 N SER A 60 1.100 12.440 7.519 1.00 1.06 N ATOM 892 CA SER A 60 0.448 13.500 8.285 1.00 1.22 C ATOM 893 C SER A 60 1.189 14.831 8.074 1.00 1.34 C ATOM 894 O SER A 60 0.576 15.876 7.873 1.00 1.64 O ATOM 895 CB SER A 60 0.436 13.105 9.770 1.00 1.18 C ATOM 896 OG SER A 60 -0.460 13.916 10.503 1.00 1.76 O ATOM 0 H SER A 60 1.233 11.575 8.043 1.00 1.06 H new ATOM 0 HA SER A 60 -0.579 13.631 7.945 1.00 1.22 H new ATOM 0 HB2 SER A 60 0.149 12.058 9.869 1.00 1.18 H new ATOM 0 HB3 SER A 60 1.440 13.201 10.183 1.00 1.18 H new ATOM 0 HG SER A 60 -0.451 13.645 11.445 1.00 1.76 H new ATOM 902 N ASP A 61 2.525 14.756 8.093 1.00 1.24 N ATOM 903 CA ASP A 61 3.438 15.881 7.933 1.00 1.42 C ATOM 904 C ASP A 61 3.749 16.198 6.455 1.00 1.45 C ATOM 905 O ASP A 61 4.549 17.080 6.166 1.00 1.68 O ATOM 906 CB ASP A 61 4.716 15.498 8.697 1.00 1.49 C ATOM 907 CG ASP A 61 5.683 16.661 8.877 1.00 1.81 C ATOM 908 OD1 ASP A 61 5.227 17.702 9.394 1.00 2.95 O ATOM 909 OD2 ASP A 61 6.876 16.453 8.565 1.00 2.14 O ATOM 0 H ASP A 61 3.014 13.871 8.226 1.00 1.24 H new ATOM 0 HA ASP A 61 2.984 16.791 8.325 1.00 1.42 H new ATOM 0 HB2 ASP A 61 4.442 15.108 9.677 1.00 1.49 H new ATOM 0 HB3 ASP A 61 5.222 14.693 8.164 1.00 1.49 H new ATOM 914 N ASP A 62 3.173 15.435 5.512 1.00 1.32 N ATOM 915 CA ASP A 62 3.632 15.296 4.136 1.00 1.45 C ATOM 916 C ASP A 62 5.153 15.196 4.033 1.00 1.52 C ATOM 917 O ASP A 62 5.812 15.811 3.198 1.00 1.73 O ATOM 918 CB ASP A 62 2.993 16.306 3.178 1.00 1.72 C ATOM 919 CG ASP A 62 3.204 15.893 1.722 1.00 2.07 C ATOM 920 OD1 ASP A 62 2.979 16.760 0.851 1.00 3.44 O ATOM 921 OD2 ASP A 62 3.537 14.706 1.498 1.00 2.24 O ATOM 0 H ASP A 62 2.340 14.878 5.704 1.00 1.32 H new ATOM 0 HA ASP A 62 3.264 14.332 3.784 1.00 1.45 H new ATOM 0 HB2 ASP A 62 1.926 16.384 3.386 1.00 1.72 H new ATOM 0 HB3 ASP A 62 3.424 17.293 3.345 1.00 1.72 H new ATOM 926 N ALA A 63 5.689 14.328 4.889 1.00 1.42 N ATOM 927 CA ALA A 63 7.040 13.813 4.815 1.00 1.44 C ATOM 928 C ALA A 63 6.899 12.336 4.466 1.00 1.17 C ATOM 929 O ALA A 63 7.321 11.460 5.217 1.00 1.21 O ATOM 930 CB ALA A 63 7.676 14.015 6.186 1.00 1.68 C ATOM 0 H ALA A 63 5.167 13.954 5.682 1.00 1.42 H new ATOM 0 HA ALA A 63 7.666 14.308 4.073 1.00 1.44 H new ATOM 0 HB1 ALA A 63 8.699 13.638 6.172 1.00 1.68 H new ATOM 0 HB2 ALA A 63 7.684 15.077 6.430 1.00 1.68 H new ATOM 0 HB3 ALA A 63 7.101 13.474 6.937 1.00 1.68 H new ATOM 936 N GLY A 64 6.240 12.072 3.340 1.00 1.02 N ATOM 937 CA GLY A 64 5.765 10.753 2.963 1.00 0.87 C ATOM 938 C GLY A 64 6.461 10.263 1.695 1.00 0.79 C ATOM 939 O GLY A 64 7.325 10.949 1.148 1.00 1.04 O ATOM 0 H GLY A 64 6.019 12.791 2.651 1.00 1.02 H new ATOM 0 HA2 GLY A 64 5.947 10.051 3.777 1.00 0.87 H new ATOM 0 HA3 GLY A 64 4.687 10.783 2.802 1.00 0.87 H new ATOM 943 N GLY A 65 6.131 9.046 1.262 1.00 0.75 N ATOM 944 CA GLY A 65 6.805 8.362 0.177 1.00 0.72 C ATOM 945 C GLY A 65 5.903 8.149 -1.034 1.00 0.60 C ATOM 946 O GLY A 65 4.711 8.445 -1.013 1.00 0.75 O ATOM 0 H GLY A 65 5.370 8.503 1.670 1.00 0.75 H new ATOM 0 HA2 GLY A 65 7.680 8.939 -0.123 1.00 0.72 H new ATOM 0 HA3 GLY A 65 7.166 7.396 0.530 1.00 0.72 H new ATOM 950 N LYS A 66 6.487 7.606 -2.101 1.00 0.59 N ATOM 951 CA LYS A 66 5.774 7.218 -3.308 1.00 0.61 C ATOM 952 C LYS A 66 5.377 5.752 -3.151 1.00 0.60 C ATOM 953 O LYS A 66 6.224 4.937 -2.793 1.00 0.93 O ATOM 954 CB LYS A 66 6.707 7.376 -4.511 1.00 0.85 C ATOM 955 CG LYS A 66 7.216 8.818 -4.663 1.00 1.06 C ATOM 956 CD LYS A 66 8.442 8.892 -5.595 1.00 1.53 C ATOM 957 CE LYS A 66 9.582 7.982 -5.090 1.00 2.15 C ATOM 958 NZ LYS A 66 10.932 8.411 -5.510 1.00 3.67 N ATOM 0 H LYS A 66 7.489 7.422 -2.147 1.00 0.59 H new ATOM 0 HA LYS A 66 4.891 7.838 -3.462 1.00 0.61 H new ATOM 0 HB2 LYS A 66 7.557 6.702 -4.401 1.00 0.85 H new ATOM 0 HB3 LYS A 66 6.181 7.080 -5.419 1.00 0.85 H new ATOM 0 HG2 LYS A 66 6.418 9.446 -5.060 1.00 1.06 H new ATOM 0 HG3 LYS A 66 7.478 9.217 -3.683 1.00 1.06 H new ATOM 0 HD2 LYS A 66 8.154 8.594 -6.603 1.00 1.53 H new ATOM 0 HD3 LYS A 66 8.795 9.922 -5.656 1.00 1.53 H new ATOM 0 HE2 LYS A 66 9.547 7.946 -4.001 1.00 2.15 H new ATOM 0 HE3 LYS A 66 9.408 6.968 -5.449 1.00 2.15 H new ATOM 0 HZ1 LYS A 66 11.633 8.081 -4.816 1.00 3.67 H new ATOM 0 HZ2 LYS A 66 11.151 8.005 -6.442 1.00 3.67 H new ATOM 0 HZ3 LYS A 66 10.964 9.449 -5.568 1.00 3.67 H new ATOM 972 N LEU A 67 4.121 5.410 -3.425 1.00 0.52 N ATOM 973 CA LEU A 67 3.685 4.025 -3.435 1.00 0.56 C ATOM 974 C LEU A 67 4.121 3.415 -4.764 1.00 0.68 C ATOM 975 O LEU A 67 3.648 3.850 -5.817 1.00 0.90 O ATOM 976 CB LEU A 67 2.161 3.962 -3.287 1.00 0.55 C ATOM 977 CG LEU A 67 1.642 2.518 -3.182 1.00 0.60 C ATOM 978 CD1 LEU A 67 1.912 1.944 -1.787 1.00 0.71 C ATOM 979 CD2 LEU A 67 0.136 2.511 -3.465 1.00 0.68 C ATOM 0 H LEU A 67 3.386 6.082 -3.644 1.00 0.52 H new ATOM 0 HA LEU A 67 4.126 3.471 -2.606 1.00 0.56 H new ATOM 0 HB2 LEU A 67 1.862 4.518 -2.399 1.00 0.55 H new ATOM 0 HB3 LEU A 67 1.695 4.452 -4.142 1.00 0.55 H new ATOM 0 HG LEU A 67 2.162 1.897 -3.911 1.00 0.60 H new ATOM 0 HD11 LEU A 67 1.537 0.922 -1.735 1.00 0.71 H new ATOM 0 HD12 LEU A 67 2.985 1.947 -1.594 1.00 0.71 H new ATOM 0 HD13 LEU A 67 1.407 2.554 -1.038 1.00 0.71 H new ATOM 0 HD21 LEU A 67 -0.243 1.492 -3.393 1.00 0.68 H new ATOM 0 HD22 LEU A 67 -0.374 3.140 -2.736 1.00 0.68 H new ATOM 0 HD23 LEU A 67 -0.048 2.897 -4.468 1.00 0.68 H new ATOM 991 N THR A 68 5.011 2.421 -4.728 1.00 0.79 N ATOM 992 CA THR A 68 5.418 1.741 -5.948 1.00 0.94 C ATOM 993 C THR A 68 4.342 0.736 -6.368 1.00 0.84 C ATOM 994 O THR A 68 3.730 0.084 -5.528 1.00 0.93 O ATOM 995 CB THR A 68 6.787 1.079 -5.772 1.00 1.22 C ATOM 996 OG1 THR A 68 7.695 1.995 -5.192 1.00 1.96 O ATOM 997 CG2 THR A 68 7.324 0.672 -7.146 1.00 1.72 C ATOM 0 H THR A 68 5.456 2.076 -3.877 1.00 0.79 H new ATOM 0 HA THR A 68 5.522 2.473 -6.749 1.00 0.94 H new ATOM 0 HB THR A 68 6.681 0.207 -5.127 1.00 1.22 H new ATOM 0 HG1 THR A 68 7.560 2.019 -4.222 1.00 1.96 H new ATOM 0 HG21 THR A 68 8.299 0.199 -7.030 1.00 1.72 H new ATOM 0 HG22 THR A 68 6.634 -0.030 -7.613 1.00 1.72 H new ATOM 0 HG23 THR A 68 7.422 1.557 -7.775 1.00 1.72 H new ATOM 1005 N TYR A 69 4.094 0.628 -7.672 1.00 0.81 N ATOM 1006 CA TYR A 69 2.956 -0.111 -8.188 1.00 0.72 C ATOM 1007 C TYR A 69 3.215 -1.616 -8.262 1.00 0.61 C ATOM 1008 O TYR A 69 3.660 -2.110 -9.296 1.00 0.76 O ATOM 1009 CB TYR A 69 2.502 0.481 -9.527 1.00 0.82 C ATOM 1010 CG TYR A 69 3.497 0.552 -10.669 1.00 0.86 C ATOM 1011 CD1 TYR A 69 4.368 1.651 -10.772 1.00 2.38 C ATOM 1012 CD2 TYR A 69 3.357 -0.330 -11.759 1.00 1.54 C ATOM 1013 CE1 TYR A 69 5.044 1.899 -11.976 1.00 2.48 C ATOM 1014 CE2 TYR A 69 4.006 -0.062 -12.975 1.00 1.54 C ATOM 1015 CZ TYR A 69 4.825 1.072 -13.089 1.00 1.15 C ATOM 1016 OH TYR A 69 5.213 1.523 -14.318 1.00 1.63 O ATOM 0 H TYR A 69 4.677 1.051 -8.394 1.00 0.81 H new ATOM 0 HA TYR A 69 2.135 0.000 -7.480 1.00 0.72 H new ATOM 0 HB2 TYR A 69 1.646 -0.099 -9.871 1.00 0.82 H new ATOM 0 HB3 TYR A 69 2.145 1.493 -9.336 1.00 0.82 H new ATOM 0 HD1 TYR A 69 4.517 2.304 -9.925 1.00 2.38 H new ATOM 0 HD2 TYR A 69 2.748 -1.216 -11.659 1.00 1.54 H new ATOM 0 HE1 TYR A 69 5.734 2.727 -12.047 1.00 2.48 H new ATOM 0 HE2 TYR A 69 3.876 -0.725 -13.818 1.00 1.54 H new ATOM 0 HH TYR A 69 5.001 0.848 -14.996 1.00 1.63 H new ATOM 1026 N THR A 70 2.895 -2.347 -7.188 1.00 0.70 N ATOM 1027 CA THR A 70 3.088 -3.789 -7.142 1.00 0.65 C ATOM 1028 C THR A 70 1.828 -4.510 -6.649 1.00 0.59 C ATOM 1029 O THR A 70 1.539 -4.553 -5.456 1.00 0.72 O ATOM 1030 CB THR A 70 4.306 -4.100 -6.261 1.00 0.80 C ATOM 1031 OG1 THR A 70 5.427 -3.362 -6.710 1.00 1.10 O ATOM 1032 CG2 THR A 70 4.658 -5.591 -6.285 1.00 0.83 C ATOM 0 H THR A 70 2.498 -1.953 -6.335 1.00 0.70 H new ATOM 0 HA THR A 70 3.276 -4.160 -8.150 1.00 0.65 H new ATOM 0 HB THR A 70 4.049 -3.819 -5.240 1.00 0.80 H new ATOM 0 HG1 THR A 70 6.200 -3.564 -6.143 1.00 1.10 H new ATOM 0 HG21 THR A 70 5.525 -5.770 -5.649 1.00 0.83 H new ATOM 0 HG22 THR A 70 3.812 -6.171 -5.916 1.00 0.83 H new ATOM 0 HG23 THR A 70 4.888 -5.894 -7.306 1.00 0.83 H new ATOM 1040 N ILE A 71 1.104 -5.156 -7.565 1.00 0.60 N ATOM 1041 CA ILE A 71 0.289 -6.316 -7.229 1.00 0.72 C ATOM 1042 C ILE A 71 0.740 -7.414 -8.184 1.00 1.15 C ATOM 1043 O ILE A 71 1.385 -7.111 -9.185 1.00 1.95 O ATOM 1044 CB ILE A 71 -1.226 -6.019 -7.352 1.00 1.05 C ATOM 1045 CG1 ILE A 71 -1.758 -6.262 -8.775 1.00 1.60 C ATOM 1046 CG2 ILE A 71 -1.516 -4.561 -6.982 1.00 1.20 C ATOM 1047 CD1 ILE A 71 -3.262 -6.059 -8.907 1.00 1.60 C ATOM 0 H ILE A 71 1.068 -4.891 -8.549 1.00 0.60 H new ATOM 0 HA ILE A 71 0.425 -6.613 -6.189 1.00 0.72 H new ATOM 0 HB ILE A 71 -1.729 -6.702 -6.667 1.00 1.05 H new ATOM 0 HG12 ILE A 71 -1.247 -5.590 -9.464 1.00 1.60 H new ATOM 0 HG13 ILE A 71 -1.509 -7.279 -9.078 1.00 1.60 H new ATOM 0 HG21 ILE A 71 -2.585 -4.368 -7.073 1.00 1.20 H new ATOM 0 HG22 ILE A 71 -1.201 -4.377 -5.955 1.00 1.20 H new ATOM 0 HG23 ILE A 71 -0.969 -3.899 -7.654 1.00 1.20 H new ATOM 0 HD11 ILE A 71 -3.566 -6.247 -9.937 1.00 1.60 H new ATOM 0 HD12 ILE A 71 -3.782 -6.750 -8.243 1.00 1.60 H new ATOM 0 HD13 ILE A 71 -3.516 -5.034 -8.636 1.00 1.60 H new ATOM 1059 N ASP A 72 0.314 -8.647 -7.932 1.00 0.76 N ATOM 1060 CA ASP A 72 0.063 -9.618 -8.984 1.00 0.81 C ATOM 1061 C ASP A 72 -1.430 -9.887 -8.898 1.00 0.83 C ATOM 1062 O ASP A 72 -1.927 -9.956 -7.777 1.00 0.94 O ATOM 1063 CB ASP A 72 0.845 -10.892 -8.707 1.00 0.90 C ATOM 1064 CG ASP A 72 0.676 -11.863 -9.861 1.00 2.29 C ATOM 1065 OD1 ASP A 72 -0.478 -12.315 -10.030 1.00 3.28 O ATOM 1066 OD2 ASP A 72 1.681 -12.078 -10.572 1.00 3.38 O ATOM 0 H ASP A 72 0.134 -8.999 -6.992 1.00 0.76 H new ATOM 0 HA ASP A 72 0.365 -9.263 -9.969 1.00 0.81 H new ATOM 0 HB2 ASP A 72 1.901 -10.658 -8.569 1.00 0.90 H new ATOM 0 HB3 ASP A 72 0.496 -11.349 -7.781 1.00 0.90 H new ATOM 1071 N PHE A 73 -2.165 -9.957 -10.004 1.00 1.03 N ATOM 1072 CA PHE A 73 -3.615 -10.064 -9.940 1.00 1.05 C ATOM 1073 C PHE A 73 -4.068 -11.473 -9.597 1.00 1.20 C ATOM 1074 O PHE A 73 -5.210 -11.627 -9.174 1.00 1.38 O ATOM 1075 CB PHE A 73 -4.300 -9.659 -11.235 1.00 1.00 C ATOM 1076 CG PHE A 73 -4.154 -8.221 -11.662 1.00 1.06 C ATOM 1077 CD1 PHE A 73 -2.944 -7.755 -12.198 1.00 2.41 C ATOM 1078 CD2 PHE A 73 -5.290 -7.400 -11.701 1.00 1.52 C ATOM 1079 CE1 PHE A 73 -2.925 -6.582 -12.960 1.00 2.67 C ATOM 1080 CE2 PHE A 73 -5.243 -6.171 -12.375 1.00 1.61 C ATOM 1081 CZ PHE A 73 -4.085 -5.798 -13.077 1.00 1.66 C ATOM 0 H PHE A 73 -1.781 -9.942 -10.949 1.00 1.03 H new ATOM 0 HA PHE A 73 -3.907 -9.372 -9.150 1.00 1.05 H new ATOM 0 HB2 PHE A 73 -3.915 -10.291 -12.035 1.00 1.00 H new ATOM 0 HB3 PHE A 73 -5.363 -9.878 -11.139 1.00 1.00 H new ATOM 0 HD1 PHE A 73 -2.029 -8.301 -12.023 1.00 2.41 H new ATOM 0 HD2 PHE A 73 -6.201 -7.714 -11.212 1.00 1.52 H new ATOM 0 HE1 PHE A 73 -2.017 -6.278 -13.459 1.00 2.67 H new ATOM 0 HE2 PHE A 73 -6.098 -5.511 -12.354 1.00 1.61 H new ATOM 0 HZ PHE A 73 -4.086 -4.917 -13.701 1.00 1.66 H new ATOM 1091 N ALA A 74 -3.212 -12.487 -9.768 1.00 1.27 N ATOM 1092 CA ALA A 74 -3.587 -13.869 -9.498 1.00 1.43 C ATOM 1093 C ALA A 74 -4.209 -13.990 -8.102 1.00 1.36 C ATOM 1094 O ALA A 74 -5.177 -14.718 -7.903 1.00 1.50 O ATOM 1095 CB ALA A 74 -2.354 -14.759 -9.656 1.00 1.56 C ATOM 0 H ALA A 74 -2.253 -12.370 -10.094 1.00 1.27 H new ATOM 0 HA ALA A 74 -4.342 -14.199 -10.212 1.00 1.43 H new ATOM 0 HB1 ALA A 74 -2.625 -15.796 -9.456 1.00 1.56 H new ATOM 0 HB2 ALA A 74 -1.972 -14.674 -10.673 1.00 1.56 H new ATOM 0 HB3 ALA A 74 -1.584 -14.443 -8.952 1.00 1.56 H new ATOM 1101 N ALA A 75 -3.673 -13.218 -7.151 1.00 1.18 N ATOM 1102 CA ALA A 75 -4.279 -13.065 -5.821 1.00 1.04 C ATOM 1103 C ALA A 75 -4.344 -11.621 -5.321 1.00 0.96 C ATOM 1104 O ALA A 75 -4.846 -11.380 -4.226 1.00 1.10 O ATOM 1105 CB ALA A 75 -3.569 -13.952 -4.804 1.00 1.00 C ATOM 0 H ALA A 75 -2.813 -12.684 -7.278 1.00 1.18 H new ATOM 0 HA ALA A 75 -5.315 -13.385 -5.931 1.00 1.04 H new ATOM 0 HB1 ALA A 75 -4.031 -13.825 -3.825 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -3.650 -14.995 -5.111 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -2.517 -13.671 -4.748 1.00 1.00 H new ATOM 1111 N LYS A 76 -3.877 -10.653 -6.113 1.00 0.93 N ATOM 1112 CA LYS A 76 -4.235 -9.258 -5.998 1.00 1.14 C ATOM 1113 C LYS A 76 -3.715 -8.646 -4.690 1.00 1.22 C ATOM 1114 O LYS A 76 -4.330 -7.804 -4.024 1.00 1.70 O ATOM 1115 CB LYS A 76 -5.718 -9.189 -6.324 1.00 1.66 C ATOM 1116 CG LYS A 76 -6.222 -7.953 -7.066 1.00 2.16 C ATOM 1117 CD LYS A 76 -6.324 -6.723 -6.165 1.00 2.09 C ATOM 1118 CE LYS A 76 -5.030 -5.919 -6.090 1.00 3.06 C ATOM 1119 NZ LYS A 76 -4.907 -5.260 -4.783 1.00 4.35 N ATOM 0 H LYS A 76 -3.220 -10.835 -6.872 1.00 0.93 H new ATOM 0 HA LYS A 76 -3.740 -8.595 -6.708 1.00 1.14 H new ATOM 0 HB2 LYS A 76 -5.972 -10.066 -6.920 1.00 1.66 H new ATOM 0 HB3 LYS A 76 -6.272 -9.268 -5.388 1.00 1.66 H new ATOM 0 HG2 LYS A 76 -5.551 -7.735 -7.897 1.00 2.16 H new ATOM 0 HG3 LYS A 76 -7.201 -8.166 -7.495 1.00 2.16 H new ATOM 0 HD2 LYS A 76 -7.123 -6.078 -6.531 1.00 2.09 H new ATOM 0 HD3 LYS A 76 -6.605 -7.040 -5.161 1.00 2.09 H new ATOM 0 HE2 LYS A 76 -4.177 -6.577 -6.254 1.00 3.06 H new ATOM 0 HE3 LYS A 76 -5.013 -5.172 -6.883 1.00 3.06 H new ATOM 0 HZ1 LYS A 76 -4.207 -4.493 -4.845 1.00 4.35 H new ATOM 0 HZ2 LYS A 76 -5.828 -4.866 -4.505 1.00 4.35 H new ATOM 0 HZ3 LYS A 76 -4.598 -5.954 -4.072 1.00 4.35 H new ATOM 1133 N GLN A 77 -2.464 -9.009 -4.422 1.00 1.03 N ATOM 1134 CA GLN A 77 -1.687 -8.683 -3.241 1.00 1.14 C ATOM 1135 C GLN A 77 -1.148 -7.268 -3.377 1.00 1.15 C ATOM 1136 O GLN A 77 0.032 -7.036 -3.618 1.00 1.65 O ATOM 1137 CB GLN A 77 -0.587 -9.722 -2.962 1.00 1.36 C ATOM 1138 CG GLN A 77 0.149 -10.272 -4.195 1.00 1.11 C ATOM 1139 CD GLN A 77 -0.457 -11.603 -4.634 1.00 1.07 C ATOM 1140 OE1 GLN A 77 -0.287 -12.608 -3.953 1.00 1.68 O ATOM 1141 NE2 GLN A 77 -1.198 -11.635 -5.738 1.00 1.16 N ATOM 0 H GLN A 77 -1.932 -9.582 -5.077 1.00 1.03 H new ATOM 0 HA GLN A 77 -2.335 -8.720 -2.365 1.00 1.14 H new ATOM 0 HB2 GLN A 77 0.149 -9.273 -2.295 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.034 -10.560 -2.426 1.00 1.36 H new ATOM 0 HG2 GLN A 77 0.090 -9.552 -5.012 1.00 1.11 H new ATOM 0 HG3 GLN A 77 1.206 -10.406 -3.964 1.00 1.11 H new ATOM 0 HE21 GLN A 77 -1.327 -10.787 -6.290 1.00 1.16 H new ATOM 0 HE22 GLN A 77 -1.637 -12.507 -6.032 1.00 1.16 H new ATOM 1150 N GLY A 78 -2.078 -6.327 -3.253 1.00 1.33 N ATOM 1151 CA GLY A 78 -1.822 -4.896 -3.264 1.00 1.35 C ATOM 1152 C GLY A 78 -0.680 -4.509 -2.325 1.00 1.06 C ATOM 1153 O GLY A 78 -0.808 -4.683 -1.112 1.00 1.40 O ATOM 0 H GLY A 78 -3.066 -6.551 -3.138 1.00 1.33 H new ATOM 0 HA2 GLY A 78 -1.580 -4.579 -4.278 1.00 1.35 H new ATOM 0 HA3 GLY A 78 -2.727 -4.364 -2.972 1.00 1.35 H new ATOM 1157 N ASN A 79 0.430 -3.991 -2.859 1.00 0.94 N ATOM 1158 CA ASN A 79 1.580 -3.604 -2.058 1.00 0.84 C ATOM 1159 C ASN A 79 2.392 -2.543 -2.796 1.00 1.02 C ATOM 1160 O ASN A 79 2.304 -2.424 -4.017 1.00 1.86 O ATOM 1161 CB ASN A 79 2.416 -4.856 -1.751 1.00 1.02 C ATOM 1162 CG ASN A 79 2.546 -5.108 -0.261 1.00 1.24 C ATOM 1163 OD1 ASN A 79 3.650 -5.144 0.259 1.00 2.68 O ATOM 1164 ND2 ASN A 79 1.434 -5.312 0.436 1.00 0.88 N ATOM 0 H ASN A 79 0.550 -3.831 -3.859 1.00 0.94 H new ATOM 0 HA ASN A 79 1.257 -3.167 -1.113 1.00 0.84 H new ATOM 0 HB2 ASN A 79 1.956 -5.723 -2.225 1.00 1.02 H new ATOM 0 HB3 ASN A 79 3.409 -4.743 -2.187 1.00 1.02 H new ATOM 0 HD21 ASN A 79 1.487 -5.506 1.436 1.00 0.88 H new ATOM 0 HD22 ASN A 79 0.527 -5.275 -0.029 1.00 0.88 H new ATOM 1171 N GLY A 80 3.153 -1.728 -2.066 1.00 0.69 N ATOM 1172 CA GLY A 80 4.093 -0.816 -2.690 1.00 0.75 C ATOM 1173 C GLY A 80 5.161 -0.383 -1.704 1.00 0.75 C ATOM 1174 O GLY A 80 4.822 0.186 -0.672 1.00 0.87 O ATOM 0 H GLY A 80 3.133 -1.685 -1.047 1.00 0.69 H new ATOM 0 HA2 GLY A 80 4.559 -1.299 -3.549 1.00 0.75 H new ATOM 0 HA3 GLY A 80 3.563 0.059 -3.066 1.00 0.75 H new ATOM 1178 N LYS A 81 6.441 -0.585 -2.021 1.00 0.82 N ATOM 1179 CA LYS A 81 7.493 -0.066 -1.158 1.00 0.74 C ATOM 1180 C LYS A 81 7.637 1.435 -1.396 1.00 0.70 C ATOM 1181 O LYS A 81 7.245 1.928 -2.459 1.00 0.97 O ATOM 1182 CB LYS A 81 8.823 -0.798 -1.383 1.00 0.87 C ATOM 1183 CG LYS A 81 9.516 -0.542 -2.729 1.00 1.09 C ATOM 1184 CD LYS A 81 10.938 -1.131 -2.732 1.00 1.83 C ATOM 1185 CE LYS A 81 11.852 -0.463 -1.687 1.00 3.36 C ATOM 1186 NZ LYS A 81 13.282 -0.614 -2.017 1.00 4.10 N ATOM 0 H LYS A 81 6.765 -1.090 -2.846 1.00 0.82 H new ATOM 0 HA LYS A 81 7.216 -0.240 -0.118 1.00 0.74 H new ATOM 0 HB2 LYS A 81 9.509 -0.516 -0.585 1.00 0.87 H new ATOM 0 HB3 LYS A 81 8.646 -1.869 -1.287 1.00 0.87 H new ATOM 0 HG2 LYS A 81 8.932 -0.987 -3.534 1.00 1.09 H new ATOM 0 HG3 LYS A 81 9.561 0.530 -2.922 1.00 1.09 H new ATOM 0 HD2 LYS A 81 10.885 -2.201 -2.534 1.00 1.83 H new ATOM 0 HD3 LYS A 81 11.376 -1.012 -3.723 1.00 1.83 H new ATOM 0 HE2 LYS A 81 11.607 0.597 -1.618 1.00 3.36 H new ATOM 0 HE3 LYS A 81 11.659 -0.899 -0.707 1.00 3.36 H new ATOM 0 HZ1 LYS A 81 13.855 -0.092 -1.324 1.00 4.10 H new ATOM 0 HZ2 LYS A 81 13.540 -1.621 -1.991 1.00 4.10 H new ATOM 0 HZ3 LYS A 81 13.460 -0.235 -2.969 1.00 4.10 H new ATOM 1200 N ILE A 82 8.213 2.144 -0.421 1.00 0.71 N ATOM 1201 CA ILE A 82 8.572 3.545 -0.552 1.00 1.04 C ATOM 1202 C ILE A 82 10.082 3.606 -0.726 1.00 1.26 C ATOM 1203 O ILE A 82 10.815 2.852 -0.088 1.00 2.03 O ATOM 1204 CB ILE A 82 8.103 4.298 0.699 1.00 1.29 C ATOM 1205 CG1 ILE A 82 6.582 4.526 0.605 1.00 1.63 C ATOM 1206 CG2 ILE A 82 8.904 5.585 0.951 1.00 2.26 C ATOM 1207 CD1 ILE A 82 5.939 4.950 1.929 1.00 2.00 C ATOM 0 H ILE A 82 8.443 1.749 0.491 1.00 0.71 H new ATOM 0 HA ILE A 82 8.095 4.016 -1.411 1.00 1.04 H new ATOM 0 HB ILE A 82 8.301 3.687 1.580 1.00 1.29 H new ATOM 0 HG12 ILE A 82 6.384 5.291 -0.146 1.00 1.63 H new ATOM 0 HG13 ILE A 82 6.107 3.608 0.258 1.00 1.63 H new ATOM 0 HG21 ILE A 82 8.529 6.077 1.849 1.00 2.26 H new ATOM 0 HG22 ILE A 82 9.957 5.338 1.085 1.00 2.26 H new ATOM 0 HG23 ILE A 82 8.795 6.255 0.098 1.00 2.26 H new ATOM 0 HD11 ILE A 82 4.868 5.092 1.784 1.00 2.00 H new ATOM 0 HD12 ILE A 82 6.105 4.176 2.678 1.00 2.00 H new ATOM 0 HD13 ILE A 82 6.386 5.885 2.268 1.00 2.00 H new ATOM 1219 N GLU A 83 10.545 4.513 -1.586 1.00 0.97 N ATOM 1220 CA GLU A 83 11.961 4.719 -1.796 1.00 1.03 C ATOM 1221 C GLU A 83 12.251 6.125 -2.318 1.00 1.25 C ATOM 1222 O GLU A 83 11.941 6.475 -3.466 1.00 1.78 O ATOM 1223 CB GLU A 83 12.518 3.615 -2.690 1.00 1.18 C ATOM 1224 CG GLU A 83 14.005 3.442 -2.389 1.00 1.10 C ATOM 1225 CD GLU A 83 14.397 1.979 -2.542 1.00 1.45 C ATOM 1226 OE1 GLU A 83 14.842 1.385 -1.535 1.00 2.66 O ATOM 1227 OE2 GLU A 83 14.040 1.356 -3.568 1.00 2.21 O ATOM 0 H GLU A 83 9.946 5.117 -2.149 1.00 0.97 H new ATOM 0 HA GLU A 83 12.480 4.652 -0.840 1.00 1.03 H new ATOM 0 HB2 GLU A 83 11.986 2.681 -2.512 1.00 1.18 H new ATOM 0 HB3 GLU A 83 12.372 3.870 -3.740 1.00 1.18 H new ATOM 0 HG2 GLU A 83 14.596 4.059 -3.066 1.00 1.10 H new ATOM 0 HG3 GLU A 83 14.222 3.782 -1.376 1.00 1.10 H new ATOM 1234 N HIS A 84 12.748 6.972 -1.414 1.00 1.13 N ATOM 1235 CA HIS A 84 13.061 8.356 -1.735 1.00 0.90 C ATOM 1236 C HIS A 84 14.037 9.080 -0.798 1.00 1.20 C ATOM 1237 O HIS A 84 14.416 10.210 -1.107 1.00 1.65 O ATOM 1238 CB HIS A 84 11.731 9.114 -1.751 1.00 1.28 C ATOM 1239 CG HIS A 84 11.708 10.288 -2.686 1.00 1.75 C ATOM 1240 ND1 HIS A 84 12.810 10.833 -3.305 1.00 2.74 N ATOM 1241 CD2 HIS A 84 10.608 10.636 -3.413 1.00 2.25 C ATOM 1242 CE1 HIS A 84 12.387 11.431 -4.431 1.00 3.75 C ATOM 1243 NE2 HIS A 84 11.059 11.266 -4.576 1.00 3.52 N ATOM 0 H HIS A 84 12.942 6.715 -0.446 1.00 1.13 H new ATOM 0 HA HIS A 84 13.583 8.338 -2.692 1.00 0.90 H new ATOM 0 HB2 HIS A 84 10.935 8.424 -2.031 1.00 1.28 H new ATOM 0 HB3 HIS A 84 11.511 9.462 -0.742 1.00 1.28 H new ATOM 0 HD1 HIS A 84 13.772 10.791 -2.970 1.00 2.74 H new ATOM 0 HD2 HIS A 84 9.578 10.458 -3.140 1.00 2.25 H new ATOM 0 HE1 HIS A 84 13.021 11.967 -5.121 1.00 3.75 H new ATOM 1251 N LEU A 85 14.352 8.526 0.374 1.00 1.22 N ATOM 1252 CA LEU A 85 14.503 9.328 1.578 1.00 1.29 C ATOM 1253 C LEU A 85 15.956 9.383 2.021 1.00 1.48 C ATOM 1254 O LEU A 85 16.720 8.444 1.807 1.00 1.69 O ATOM 1255 CB LEU A 85 13.606 8.753 2.689 1.00 1.19 C ATOM 1256 CG LEU A 85 12.124 8.988 2.391 1.00 1.23 C ATOM 1257 CD1 LEU A 85 11.231 7.945 3.065 1.00 1.42 C ATOM 1258 CD2 LEU A 85 11.668 10.399 2.778 1.00 1.90 C ATOM 0 H LEU A 85 14.506 7.527 0.510 1.00 1.22 H new ATOM 0 HA LEU A 85 14.193 10.351 1.365 1.00 1.29 H new ATOM 0 HB2 LEU A 85 13.792 7.684 2.792 1.00 1.19 H new ATOM 0 HB3 LEU A 85 13.864 9.215 3.642 1.00 1.19 H new ATOM 0 HG LEU A 85 12.018 8.884 1.311 1.00 1.23 H new ATOM 0 HD11 LEU A 85 10.188 8.151 2.826 1.00 1.42 H new ATOM 0 HD12 LEU A 85 11.497 6.951 2.705 1.00 1.42 H new ATOM 0 HD13 LEU A 85 11.372 7.989 4.145 1.00 1.42 H new ATOM 0 HD21 LEU A 85 10.609 10.515 2.547 1.00 1.90 H new ATOM 0 HD22 LEU A 85 11.825 10.552 3.846 1.00 1.90 H new ATOM 0 HD23 LEU A 85 12.245 11.134 2.217 1.00 1.90 H new ATOM 1270 N LYS A 86 16.302 10.481 2.696 1.00 1.61 N ATOM 1271 CA LYS A 86 17.653 10.771 3.157 1.00 1.90 C ATOM 1272 C LYS A 86 18.141 9.815 4.240 1.00 1.66 C ATOM 1273 O LYS A 86 19.276 9.942 4.698 1.00 1.90 O ATOM 1274 CB LYS A 86 17.762 12.224 3.635 1.00 2.25 C ATOM 1275 CG LYS A 86 16.656 12.681 4.592 1.00 2.06 C ATOM 1276 CD LYS A 86 16.479 11.942 5.926 1.00 2.70 C ATOM 1277 CE LYS A 86 17.603 12.175 6.959 1.00 4.30 C ATOM 1278 NZ LYS A 86 18.583 11.066 7.054 1.00 6.05 N ATOM 0 H LYS A 86 15.631 11.209 2.941 1.00 1.61 H new ATOM 0 HA LYS A 86 18.307 10.623 2.297 1.00 1.90 H new ATOM 0 HB2 LYS A 86 18.725 12.356 4.129 1.00 2.25 H new ATOM 0 HB3 LYS A 86 17.759 12.878 2.763 1.00 2.25 H new ATOM 0 HG2 LYS A 86 16.830 13.733 4.818 1.00 2.06 H new ATOM 0 HG3 LYS A 86 15.710 12.622 4.054 1.00 2.06 H new ATOM 0 HD2 LYS A 86 15.531 12.247 6.369 1.00 2.70 H new ATOM 0 HD3 LYS A 86 16.408 10.873 5.725 1.00 2.70 H new ATOM 0 HE2 LYS A 86 18.133 13.092 6.701 1.00 4.30 H new ATOM 0 HE3 LYS A 86 17.153 12.332 7.939 1.00 4.30 H new ATOM 0 HZ1 LYS A 86 19.303 11.299 7.767 1.00 6.05 H new ATOM 0 HZ2 LYS A 86 18.092 10.192 7.330 1.00 6.05 H new ATOM 0 HZ3 LYS A 86 19.042 10.928 6.131 1.00 6.05 H new ATOM 1292 N SER A 87 17.257 8.965 4.762 1.00 1.36 N ATOM 1293 CA SER A 87 17.593 7.980 5.781 1.00 1.34 C ATOM 1294 C SER A 87 17.353 6.570 5.247 1.00 1.28 C ATOM 1295 O SER A 87 16.233 6.284 4.815 1.00 1.21 O ATOM 1296 CB SER A 87 16.776 8.224 7.057 1.00 1.45 C ATOM 1297 OG SER A 87 17.631 8.752 8.049 1.00 2.20 O ATOM 0 H SER A 87 16.276 8.944 4.483 1.00 1.36 H new ATOM 0 HA SER A 87 18.649 8.081 6.031 1.00 1.34 H new ATOM 0 HB2 SER A 87 15.959 8.916 6.855 1.00 1.45 H new ATOM 0 HB3 SER A 87 16.327 7.293 7.402 1.00 1.45 H new ATOM 0 HG SER A 87 18.092 8.019 8.508 1.00 2.20 H new ATOM 1303 N PRO A 88 18.343 5.660 5.300 1.00 1.43 N ATOM 1304 CA PRO A 88 18.066 4.254 5.077 1.00 1.54 C ATOM 1305 C PRO A 88 16.938 3.792 6.001 1.00 1.41 C ATOM 1306 O PRO A 88 16.074 3.042 5.553 1.00 1.76 O ATOM 1307 CB PRO A 88 19.382 3.503 5.308 1.00 1.84 C ATOM 1308 CG PRO A 88 20.214 4.461 6.155 1.00 1.84 C ATOM 1309 CD PRO A 88 19.726 5.842 5.726 1.00 1.66 C ATOM 0 HA PRO A 88 17.718 4.056 4.063 1.00 1.54 H new ATOM 0 HB2 PRO A 88 19.216 2.557 5.823 1.00 1.84 H new ATOM 0 HB3 PRO A 88 19.879 3.270 4.366 1.00 1.84 H new ATOM 0 HG2 PRO A 88 20.056 4.294 7.220 1.00 1.84 H new ATOM 0 HG3 PRO A 88 21.281 4.337 5.968 1.00 1.84 H new ATOM 0 HD2 PRO A 88 19.791 6.553 6.550 1.00 1.66 H new ATOM 0 HD3 PRO A 88 20.336 6.238 4.914 1.00 1.66 H new ATOM 1317 N GLU A 89 16.883 4.287 7.243 1.00 1.19 N ATOM 1318 CA GLU A 89 15.927 3.904 8.279 1.00 1.32 C ATOM 1319 C GLU A 89 14.551 4.555 8.079 1.00 1.34 C ATOM 1320 O GLU A 89 13.930 5.026 9.029 1.00 2.52 O ATOM 1321 CB GLU A 89 16.505 4.283 9.654 1.00 1.49 C ATOM 1322 CG GLU A 89 18.038 4.241 9.735 1.00 2.04 C ATOM 1323 CD GLU A 89 18.673 5.612 9.499 1.00 2.44 C ATOM 1324 OE1 GLU A 89 18.311 6.236 8.476 1.00 2.96 O ATOM 1325 OE2 GLU A 89 19.494 6.029 10.338 1.00 3.48 O ATOM 0 H GLU A 89 17.538 5.000 7.565 1.00 1.19 H new ATOM 0 HA GLU A 89 15.772 2.827 8.217 1.00 1.32 H new ATOM 0 HB2 GLU A 89 16.168 5.287 9.911 1.00 1.49 H new ATOM 0 HB3 GLU A 89 16.096 3.607 10.405 1.00 1.49 H new ATOM 0 HG2 GLU A 89 18.337 3.869 10.715 1.00 2.04 H new ATOM 0 HG3 GLU A 89 18.419 3.535 8.997 1.00 2.04 H new ATOM 1332 N LEU A 90 14.104 4.610 6.829 1.00 1.17 N ATOM 1333 CA LEU A 90 12.967 5.399 6.367 1.00 0.95 C ATOM 1334 C LEU A 90 12.521 5.037 4.955 1.00 0.80 C ATOM 1335 O LEU A 90 11.330 5.133 4.664 1.00 0.94 O ATOM 1336 CB LEU A 90 13.289 6.896 6.471 1.00 1.05 C ATOM 1337 CG LEU A 90 12.467 7.536 7.593 1.00 1.18 C ATOM 1338 CD1 LEU A 90 13.232 8.696 8.223 1.00 2.34 C ATOM 1339 CD2 LEU A 90 11.113 8.021 7.060 1.00 2.81 C ATOM 0 H LEU A 90 14.544 4.082 6.076 1.00 1.17 H new ATOM 0 HA LEU A 90 12.127 5.161 7.020 1.00 0.95 H new ATOM 0 HB2 LEU A 90 14.353 7.034 6.665 1.00 1.05 H new ATOM 0 HB3 LEU A 90 13.071 7.389 5.524 1.00 1.05 H new ATOM 0 HG LEU A 90 12.289 6.781 8.358 1.00 1.18 H new ATOM 0 HD11 LEU A 90 12.632 9.138 9.018 1.00 2.34 H new ATOM 0 HD12 LEU A 90 14.171 8.330 8.638 1.00 2.34 H new ATOM 0 HD13 LEU A 90 13.440 9.450 7.464 1.00 2.34 H new ATOM 0 HD21 LEU A 90 10.543 8.473 7.872 1.00 2.81 H new ATOM 0 HD22 LEU A 90 11.274 8.760 6.275 1.00 2.81 H new ATOM 0 HD23 LEU A 90 10.558 7.175 6.654 1.00 2.81 H new ATOM 1351 N ASN A 91 13.436 4.616 4.074 1.00 0.72 N ATOM 1352 CA ASN A 91 13.073 3.983 2.809 1.00 0.75 C ATOM 1353 C ASN A 91 12.363 2.654 3.090 1.00 0.82 C ATOM 1354 O ASN A 91 12.953 1.580 3.003 1.00 1.24 O ATOM 1355 CB ASN A 91 14.321 3.818 1.936 1.00 0.89 C ATOM 1356 CG ASN A 91 14.823 5.176 1.458 1.00 0.99 C ATOM 1357 OD1 ASN A 91 14.351 5.702 0.454 1.00 1.78 O ATOM 1358 ND2 ASN A 91 15.734 5.807 2.192 1.00 1.09 N ATOM 0 H ASN A 91 14.442 4.705 4.220 1.00 0.72 H new ATOM 0 HA ASN A 91 12.377 4.611 2.253 1.00 0.75 H new ATOM 0 HB2 ASN A 91 15.104 3.313 2.502 1.00 0.89 H new ATOM 0 HB3 ASN A 91 14.091 3.186 1.078 1.00 0.89 H new ATOM 0 HD21 ASN A 91 16.049 6.739 1.923 1.00 1.09 H new ATOM 0 HD22 ASN A 91 16.118 5.359 3.024 1.00 1.09 H new ATOM 1365 N VAL A 92 11.101 2.760 3.508 1.00 0.66 N ATOM 1366 CA VAL A 92 10.298 1.689 4.068 1.00 0.68 C ATOM 1367 C VAL A 92 9.848 0.713 2.993 1.00 0.59 C ATOM 1368 O VAL A 92 9.347 1.139 1.952 1.00 0.68 O ATOM 1369 CB VAL A 92 9.113 2.294 4.846 1.00 0.74 C ATOM 1370 CG1 VAL A 92 8.225 3.260 4.069 1.00 2.17 C ATOM 1371 CG2 VAL A 92 8.171 1.239 5.428 1.00 1.92 C ATOM 0 H VAL A 92 10.592 3.643 3.460 1.00 0.66 H new ATOM 0 HA VAL A 92 10.904 1.110 4.765 1.00 0.68 H new ATOM 0 HB VAL A 92 9.640 2.845 5.624 1.00 0.74 H new ATOM 0 HG11 VAL A 92 7.426 3.621 4.717 1.00 2.17 H new ATOM 0 HG12 VAL A 92 8.821 4.104 3.723 1.00 2.17 H new ATOM 0 HG13 VAL A 92 7.792 2.746 3.211 1.00 2.17 H new ATOM 0 HG21 VAL A 92 7.359 1.732 5.963 1.00 1.92 H new ATOM 0 HG22 VAL A 92 7.759 0.634 4.620 1.00 1.92 H new ATOM 0 HG23 VAL A 92 8.723 0.598 6.116 1.00 1.92 H new ATOM 1381 N ASP A 93 9.975 -0.590 3.266 1.00 0.55 N ATOM 1382 CA ASP A 93 9.409 -1.614 2.401 1.00 0.53 C ATOM 1383 C ASP A 93 8.148 -2.185 3.053 1.00 0.54 C ATOM 1384 O ASP A 93 7.904 -1.967 4.241 1.00 0.62 O ATOM 1385 CB ASP A 93 10.468 -2.673 2.064 1.00 0.56 C ATOM 1386 CG ASP A 93 10.229 -3.260 0.679 1.00 0.95 C ATOM 1387 OD1 ASP A 93 9.062 -3.623 0.419 1.00 2.32 O ATOM 1388 OD2 ASP A 93 11.196 -3.276 -0.114 1.00 2.04 O ATOM 0 H ASP A 93 10.467 -0.954 4.082 1.00 0.55 H new ATOM 0 HA ASP A 93 9.105 -1.186 1.446 1.00 0.53 H new ATOM 0 HB2 ASP A 93 11.461 -2.226 2.107 1.00 0.56 H new ATOM 0 HB3 ASP A 93 10.443 -3.468 2.809 1.00 0.56 H new ATOM 1393 N LEU A 94 7.320 -2.858 2.261 1.00 0.72 N ATOM 1394 CA LEU A 94 5.957 -3.246 2.554 1.00 0.72 C ATOM 1395 C LEU A 94 5.805 -4.762 2.392 1.00 0.70 C ATOM 1396 O LEU A 94 6.303 -5.344 1.432 1.00 0.89 O ATOM 1397 CB LEU A 94 5.030 -2.420 1.634 1.00 1.11 C ATOM 1398 CG LEU A 94 3.926 -1.760 2.458 1.00 1.17 C ATOM 1399 CD1 LEU A 94 3.246 -0.581 1.761 1.00 1.14 C ATOM 1400 CD2 LEU A 94 2.846 -2.765 2.870 1.00 2.73 C ATOM 0 H LEU A 94 7.611 -3.165 1.333 1.00 0.72 H new ATOM 0 HA LEU A 94 5.680 -3.033 3.586 1.00 0.72 H new ATOM 0 HB2 LEU A 94 5.608 -1.659 1.111 1.00 1.11 H new ATOM 0 HB3 LEU A 94 4.591 -3.065 0.873 1.00 1.11 H new ATOM 0 HG LEU A 94 4.443 -1.376 3.337 1.00 1.17 H new ATOM 0 HD11 LEU A 94 2.475 -0.169 2.412 1.00 1.14 H new ATOM 0 HD12 LEU A 94 3.986 0.189 1.543 1.00 1.14 H new ATOM 0 HD13 LEU A 94 2.791 -0.921 0.831 1.00 1.14 H new ATOM 0 HD21 LEU A 94 2.079 -2.256 3.454 1.00 2.73 H new ATOM 0 HD22 LEU A 94 2.394 -3.199 1.978 1.00 2.73 H new ATOM 0 HD23 LEU A 94 3.295 -3.556 3.471 1.00 2.73 H new ATOM 1412 N ALA A 95 5.161 -5.416 3.365 1.00 0.71 N ATOM 1413 CA ALA A 95 4.934 -6.851 3.345 1.00 0.88 C ATOM 1414 C ALA A 95 3.743 -7.188 2.446 1.00 0.84 C ATOM 1415 O ALA A 95 2.663 -6.605 2.586 1.00 0.98 O ATOM 1416 CB ALA A 95 4.694 -7.354 4.771 1.00 1.10 C ATOM 0 H ALA A 95 4.783 -4.953 4.192 1.00 0.71 H new ATOM 0 HA ALA A 95 5.816 -7.348 2.940 1.00 0.88 H new ATOM 0 HB1 ALA A 95 4.524 -8.431 4.753 1.00 1.10 H new ATOM 0 HB2 ALA A 95 5.567 -7.135 5.386 1.00 1.10 H new ATOM 0 HB3 ALA A 95 3.820 -6.856 5.190 1.00 1.10 H new ATOM 1422 N ALA A 96 3.924 -8.178 1.567 1.00 0.80 N ATOM 1423 CA ALA A 96 2.905 -8.593 0.619 1.00 0.81 C ATOM 1424 C ALA A 96 1.852 -9.409 1.360 1.00 0.72 C ATOM 1425 O ALA A 96 2.179 -10.383 2.034 1.00 1.10 O ATOM 1426 CB ALA A 96 3.543 -9.415 -0.505 1.00 0.97 C ATOM 0 H ALA A 96 4.790 -8.713 1.499 1.00 0.80 H new ATOM 0 HA ALA A 96 2.431 -7.721 0.170 1.00 0.81 H new ATOM 0 HB1 ALA A 96 2.773 -9.723 -1.212 1.00 0.97 H new ATOM 0 HB2 ALA A 96 4.288 -8.809 -1.021 1.00 0.97 H new ATOM 0 HB3 ALA A 96 4.022 -10.298 -0.083 1.00 0.97 H new ATOM 1432 N ALA A 97 0.594 -8.982 1.249 1.00 0.62 N ATOM 1433 CA ALA A 97 -0.552 -9.595 1.895 1.00 0.60 C ATOM 1434 C ALA A 97 -1.638 -9.785 0.844 1.00 0.66 C ATOM 1435 O ALA A 97 -1.725 -8.998 -0.098 1.00 0.98 O ATOM 1436 CB ALA A 97 -1.035 -8.688 3.024 1.00 0.89 C ATOM 0 H ALA A 97 0.343 -8.170 0.685 1.00 0.62 H new ATOM 0 HA ALA A 97 -0.292 -10.563 2.324 1.00 0.60 H new ATOM 0 HB1 ALA A 97 -1.896 -9.143 3.513 1.00 0.89 H new ATOM 0 HB2 ALA A 97 -0.234 -8.554 3.751 1.00 0.89 H new ATOM 0 HB3 ALA A 97 -1.320 -7.719 2.615 1.00 0.89 H new ATOM 1442 N ASP A 98 -2.436 -10.839 0.997 1.00 0.69 N ATOM 1443 CA ASP A 98 -3.475 -11.249 0.069 1.00 0.82 C ATOM 1444 C ASP A 98 -4.736 -10.400 0.256 1.00 0.93 C ATOM 1445 O ASP A 98 -4.837 -9.618 1.202 1.00 1.20 O ATOM 1446 CB ASP A 98 -3.821 -12.707 0.390 1.00 1.08 C ATOM 1447 CG ASP A 98 -4.547 -12.748 1.724 1.00 2.44 C ATOM 1448 OD1 ASP A 98 -5.796 -12.802 1.710 1.00 3.79 O ATOM 1449 OD2 ASP A 98 -3.894 -12.546 2.774 1.00 3.45 O ATOM 0 H ASP A 98 -2.369 -11.454 1.808 1.00 0.69 H new ATOM 0 HA ASP A 98 -3.123 -11.128 -0.955 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -4.448 -13.129 -0.395 1.00 1.08 H new ATOM 0 HB3 ASP A 98 -2.914 -13.311 0.433 1.00 1.08 H new ATOM 1454 N ILE A 99 -5.726 -10.629 -0.610 1.00 1.02 N ATOM 1455 CA ILE A 99 -7.067 -10.114 -0.481 1.00 1.13 C ATOM 1456 C ILE A 99 -8.085 -11.257 -0.394 1.00 1.17 C ATOM 1457 O ILE A 99 -8.806 -11.605 -1.330 1.00 1.66 O ATOM 1458 CB ILE A 99 -7.311 -9.051 -1.547 1.00 1.25 C ATOM 1459 CG1 ILE A 99 -8.767 -8.636 -1.586 1.00 1.09 C ATOM 1460 CG2 ILE A 99 -6.751 -9.353 -2.924 1.00 1.66 C ATOM 1461 CD1 ILE A 99 -8.818 -7.163 -2.003 1.00 1.35 C ATOM 0 H ILE A 99 -5.599 -11.200 -1.446 1.00 1.02 H new ATOM 0 HA ILE A 99 -7.204 -9.590 0.465 1.00 1.13 H new ATOM 0 HB ILE A 99 -6.717 -8.196 -1.225 1.00 1.25 H new ATOM 0 HG12 ILE A 99 -9.322 -9.253 -2.292 1.00 1.09 H new ATOM 0 HG13 ILE A 99 -9.231 -8.774 -0.609 1.00 1.09 H new ATOM 0 HG21 ILE A 99 -6.984 -8.530 -3.600 1.00 1.66 H new ATOM 0 HG22 ILE A 99 -5.670 -9.474 -2.858 1.00 1.66 H new ATOM 0 HG23 ILE A 99 -7.197 -10.272 -3.305 1.00 1.66 H new ATOM 0 HD11 ILE A 99 -9.856 -6.831 -2.041 1.00 1.35 H new ATOM 0 HD12 ILE A 99 -8.271 -6.560 -1.278 1.00 1.35 H new ATOM 0 HD13 ILE A 99 -8.364 -7.048 -2.987 1.00 1.35 H new ATOM 1473 N LYS A 100 -8.126 -11.811 0.812 1.00 1.19 N ATOM 1474 CA LYS A 100 -9.205 -12.560 1.432 1.00 1.31 C ATOM 1475 C LYS A 100 -10.574 -11.937 1.116 1.00 1.20 C ATOM 1476 O LYS A 100 -10.657 -10.720 0.943 1.00 2.06 O ATOM 1477 CB LYS A 100 -8.945 -12.654 2.956 1.00 2.22 C ATOM 1478 CG LYS A 100 -9.027 -11.367 3.806 1.00 3.89 C ATOM 1479 CD LYS A 100 -7.902 -10.331 3.641 1.00 4.88 C ATOM 1480 CE LYS A 100 -6.577 -10.574 4.390 1.00 6.34 C ATOM 1481 NZ LYS A 100 -5.990 -11.902 4.127 1.00 6.68 N ATOM 0 H LYS A 100 -7.325 -11.738 1.439 1.00 1.19 H new ATOM 0 HA LYS A 100 -9.228 -13.569 1.020 1.00 1.31 H new ATOM 0 HB2 LYS A 100 -9.658 -13.368 3.369 1.00 2.22 H new ATOM 0 HB3 LYS A 100 -7.951 -13.079 3.096 1.00 2.22 H new ATOM 0 HG2 LYS A 100 -9.973 -10.875 3.580 1.00 3.89 H new ATOM 0 HG3 LYS A 100 -9.063 -11.659 4.855 1.00 3.89 H new ATOM 0 HD2 LYS A 100 -7.675 -10.252 2.578 1.00 4.88 H new ATOM 0 HD3 LYS A 100 -8.291 -9.363 3.957 1.00 4.88 H new ATOM 0 HE2 LYS A 100 -5.860 -9.805 4.103 1.00 6.34 H new ATOM 0 HE3 LYS A 100 -6.749 -10.467 5.461 1.00 6.34 H new ATOM 0 HZ1 LYS A 100 -4.955 -11.818 4.066 1.00 6.68 H new ATOM 0 HZ2 LYS A 100 -6.240 -12.551 4.900 1.00 6.68 H new ATOM 0 HZ3 LYS A 100 -6.361 -12.274 3.229 1.00 6.68 H new ATOM 1495 N PRO A 101 -11.657 -12.733 1.059 1.00 1.88 N ATOM 1496 CA PRO A 101 -12.980 -12.268 0.663 1.00 2.57 C ATOM 1497 C PRO A 101 -13.662 -11.452 1.773 1.00 1.87 C ATOM 1498 O PRO A 101 -14.716 -11.829 2.280 1.00 2.86 O ATOM 1499 CB PRO A 101 -13.752 -13.544 0.304 1.00 4.25 C ATOM 1500 CG PRO A 101 -13.153 -14.562 1.272 1.00 4.46 C ATOM 1501 CD PRO A 101 -11.675 -14.175 1.263 1.00 3.17 C ATOM 0 HA PRO A 101 -12.937 -11.579 -0.181 1.00 2.57 H new ATOM 0 HB2 PRO A 101 -14.826 -13.426 0.450 1.00 4.25 H new ATOM 0 HB3 PRO A 101 -13.601 -13.833 -0.736 1.00 4.25 H new ATOM 0 HG2 PRO A 101 -13.589 -14.484 2.268 1.00 4.46 H new ATOM 0 HG3 PRO A 101 -13.309 -15.587 0.935 1.00 4.46 H new ATOM 0 HD2 PRO A 101 -11.192 -14.446 2.202 1.00 3.17 H new ATOM 0 HD3 PRO A 101 -11.138 -14.692 0.468 1.00 3.17 H new ATOM 1509 N ASP A 102 -13.092 -10.292 2.110 1.00 1.24 N ATOM 1510 CA ASP A 102 -13.763 -9.241 2.872 1.00 1.47 C ATOM 1511 C ASP A 102 -15.058 -8.843 2.148 1.00 1.40 C ATOM 1512 O ASP A 102 -16.111 -8.675 2.757 1.00 2.32 O ATOM 1513 CB ASP A 102 -12.783 -8.068 3.015 1.00 2.28 C ATOM 1514 CG ASP A 102 -13.470 -6.784 3.439 1.00 3.49 C ATOM 1515 OD1 ASP A 102 -13.382 -6.418 4.632 1.00 4.67 O ATOM 1516 OD2 ASP A 102 -14.051 -6.102 2.564 1.00 4.11 O ATOM 0 H ASP A 102 -12.133 -10.055 1.855 1.00 1.24 H new ATOM 0 HA ASP A 102 -14.045 -9.578 3.869 1.00 1.47 H new ATOM 0 HB2 ASP A 102 -12.018 -8.326 3.747 1.00 2.28 H new ATOM 0 HB3 ASP A 102 -12.274 -7.907 2.065 1.00 2.28 H new ATOM 1521 N GLY A 103 -14.960 -8.740 0.821 1.00 1.81 N ATOM 1522 CA GLY A 103 -16.083 -8.687 -0.101 1.00 2.42 C ATOM 1523 C GLY A 103 -16.960 -7.447 0.050 1.00 1.91 C ATOM 1524 O GLY A 103 -18.099 -7.434 -0.412 1.00 2.75 O ATOM 0 H GLY A 103 -14.058 -8.690 0.346 1.00 1.81 H new ATOM 0 HA2 GLY A 103 -15.703 -8.727 -1.122 1.00 2.42 H new ATOM 0 HA3 GLY A 103 -16.700 -9.574 0.044 1.00 2.42 H new ATOM 1528 N LYS A 104 -16.441 -6.367 0.633 1.00 2.11 N ATOM 1529 CA LYS A 104 -17.240 -5.193 0.982 1.00 2.72 C ATOM 1530 C LYS A 104 -17.365 -4.246 -0.215 1.00 2.91 C ATOM 1531 O LYS A 104 -17.128 -3.043 -0.107 1.00 3.94 O ATOM 1532 CB LYS A 104 -16.549 -4.535 2.168 1.00 3.21 C ATOM 1533 CG LYS A 104 -17.368 -3.467 2.887 1.00 4.04 C ATOM 1534 CD LYS A 104 -16.468 -2.696 3.861 1.00 4.81 C ATOM 1535 CE LYS A 104 -15.688 -3.594 4.843 1.00 5.59 C ATOM 1536 NZ LYS A 104 -14.435 -4.139 4.269 1.00 6.40 N ATOM 0 H LYS A 104 -15.454 -6.281 0.877 1.00 2.11 H new ATOM 0 HA LYS A 104 -18.260 -5.468 1.250 1.00 2.72 H new ATOM 0 HB2 LYS A 104 -16.280 -5.309 2.887 1.00 3.21 H new ATOM 0 HB3 LYS A 104 -15.619 -4.085 1.822 1.00 3.21 H new ATOM 0 HG2 LYS A 104 -17.807 -2.782 2.162 1.00 4.04 H new ATOM 0 HG3 LYS A 104 -18.193 -3.930 3.428 1.00 4.04 H new ATOM 0 HD2 LYS A 104 -15.758 -2.100 3.288 1.00 4.81 H new ATOM 0 HD3 LYS A 104 -17.082 -1.999 4.432 1.00 4.81 H new ATOM 0 HE2 LYS A 104 -15.450 -3.020 5.739 1.00 5.59 H new ATOM 0 HE3 LYS A 104 -16.327 -4.421 5.154 1.00 5.59 H new ATOM 0 HZ1 LYS A 104 -14.019 -4.825 4.931 1.00 6.40 H new ATOM 0 HZ2 LYS A 104 -14.643 -4.612 3.366 1.00 6.40 H new ATOM 0 HZ3 LYS A 104 -13.762 -3.363 4.106 1.00 6.40 H new ATOM 1550 N ARG A 105 -17.706 -4.820 -1.369 1.00 2.48 N ATOM 1551 CA ARG A 105 -17.230 -4.362 -2.659 1.00 2.61 C ATOM 1552 C ARG A 105 -15.723 -4.583 -2.695 1.00 2.20 C ATOM 1553 O ARG A 105 -15.008 -4.104 -1.820 1.00 3.32 O ATOM 1554 CB ARG A 105 -17.558 -2.903 -3.010 1.00 2.99 C ATOM 1555 CG ARG A 105 -19.004 -2.492 -2.696 1.00 4.02 C ATOM 1556 CD ARG A 105 -19.233 -1.021 -3.077 1.00 4.69 C ATOM 1557 NE ARG A 105 -18.171 -0.140 -2.556 1.00 6.04 N ATOM 1558 CZ ARG A 105 -17.970 0.166 -1.264 1.00 7.45 C ATOM 1559 NH1 ARG A 105 -18.839 -0.248 -0.337 1.00 7.88 N ATOM 1560 NH2 ARG A 105 -16.901 0.889 -0.908 1.00 9.09 N ATOM 0 H ARG A 105 -18.329 -5.626 -1.427 1.00 2.48 H new ATOM 0 HA ARG A 105 -17.760 -4.941 -3.415 1.00 2.61 H new ATOM 0 HB2 ARG A 105 -16.879 -2.248 -2.464 1.00 2.99 H new ATOM 0 HB3 ARG A 105 -17.369 -2.745 -4.072 1.00 2.99 H new ATOM 0 HG2 ARG A 105 -19.698 -3.129 -3.244 1.00 4.02 H new ATOM 0 HG3 ARG A 105 -19.208 -2.636 -1.635 1.00 4.02 H new ATOM 0 HD2 ARG A 105 -19.278 -0.931 -4.162 1.00 4.69 H new ATOM 0 HD3 ARG A 105 -20.198 -0.693 -2.690 1.00 4.69 H new ATOM 0 HE ARG A 105 -17.533 0.273 -3.237 1.00 6.04 H new ATOM 0 HH11 ARG A 105 -19.654 -0.796 -0.611 1.00 7.88 H new ATOM 0 HH12 ARG A 105 -18.687 -0.016 0.645 1.00 7.88 H new ATOM 0 HH21 ARG A 105 -16.241 1.207 -1.618 1.00 9.09 H new ATOM 0 HH22 ARG A 105 -16.747 1.122 0.073 1.00 9.09 H new ATOM 1574 N HIS A 106 -15.251 -5.345 -3.677 1.00 2.04 N ATOM 1575 CA HIS A 106 -13.847 -5.537 -4.026 1.00 2.44 C ATOM 1576 C HIS A 106 -12.861 -5.838 -2.886 1.00 2.25 C ATOM 1577 O HIS A 106 -11.660 -5.819 -3.128 1.00 3.32 O ATOM 1578 CB HIS A 106 -13.363 -4.404 -4.932 1.00 3.07 C ATOM 1579 CG HIS A 106 -13.626 -3.021 -4.393 1.00 4.21 C ATOM 1580 ND1 HIS A 106 -13.128 -2.508 -3.217 1.00 4.65 N ATOM 1581 CD2 HIS A 106 -14.583 -2.154 -4.851 1.00 5.78 C ATOM 1582 CE1 HIS A 106 -13.776 -1.357 -2.976 1.00 6.15 C ATOM 1583 NE2 HIS A 106 -14.679 -1.097 -3.937 1.00 6.81 N ATOM 0 H HIS A 106 -15.874 -5.876 -4.286 1.00 2.04 H new ATOM 0 HA HIS A 106 -13.841 -6.482 -4.569 1.00 2.44 H new ATOM 0 HB2 HIS A 106 -12.292 -4.519 -5.097 1.00 3.07 H new ATOM 0 HB3 HIS A 106 -13.847 -4.500 -5.904 1.00 3.07 H new ATOM 0 HD1 HIS A 106 -12.401 -2.925 -2.636 1.00 4.65 H new ATOM 0 HD2 HIS A 106 -15.161 -2.266 -5.756 1.00 5.78 H new ATOM 0 HE1 HIS A 106 -13.595 -0.722 -2.121 1.00 6.15 H new ATOM 1591 N ALA A 107 -13.331 -6.179 -1.685 1.00 2.14 N ATOM 1592 CA ALA A 107 -12.507 -6.660 -0.587 1.00 3.06 C ATOM 1593 C ALA A 107 -11.380 -5.675 -0.191 1.00 2.54 C ATOM 1594 O ALA A 107 -11.448 -4.486 -0.510 1.00 2.53 O ATOM 1595 CB ALA A 107 -12.066 -8.099 -0.904 1.00 4.64 C ATOM 0 H ALA A 107 -14.322 -6.125 -1.448 1.00 2.14 H new ATOM 0 HA ALA A 107 -13.091 -6.701 0.332 1.00 3.06 H new ATOM 0 HB1 ALA A 107 -11.446 -8.477 -0.091 1.00 4.64 H new ATOM 0 HB2 ALA A 107 -12.946 -8.733 -1.015 1.00 4.64 H new ATOM 0 HB3 ALA A 107 -11.493 -8.108 -1.831 1.00 4.64 H new ATOM 1601 N VAL A 108 -10.379 -6.152 0.564 1.00 2.22 N ATOM 1602 CA VAL A 108 -9.370 -5.358 1.277 1.00 1.78 C ATOM 1603 C VAL A 108 -8.088 -6.192 1.487 1.00 1.42 C ATOM 1604 O VAL A 108 -8.164 -7.414 1.608 1.00 1.64 O ATOM 1605 CB VAL A 108 -9.935 -4.890 2.641 1.00 2.17 C ATOM 1606 CG1 VAL A 108 -8.892 -4.160 3.501 1.00 2.66 C ATOM 1607 CG2 VAL A 108 -11.142 -3.950 2.495 1.00 2.31 C ATOM 0 H VAL A 108 -10.246 -7.154 0.700 1.00 2.22 H new ATOM 0 HA VAL A 108 -9.121 -4.481 0.679 1.00 1.78 H new ATOM 0 HB VAL A 108 -10.239 -5.815 3.131 1.00 2.17 H new ATOM 0 HG11 VAL A 108 -9.346 -3.856 4.444 1.00 2.66 H new ATOM 0 HG12 VAL A 108 -8.054 -4.827 3.700 1.00 2.66 H new ATOM 0 HG13 VAL A 108 -8.535 -3.278 2.969 1.00 2.66 H new ATOM 0 HG21 VAL A 108 -11.495 -3.655 3.483 1.00 2.31 H new ATOM 0 HG22 VAL A 108 -10.846 -3.063 1.935 1.00 2.31 H new ATOM 0 HG23 VAL A 108 -11.942 -4.465 1.963 1.00 2.31 H new ATOM 1617 N ILE A 109 -6.932 -5.517 1.551 1.00 1.08 N ATOM 1618 CA ILE A 109 -5.609 -6.001 1.939 1.00 0.83 C ATOM 1619 C ILE A 109 -5.206 -5.307 3.243 1.00 0.75 C ATOM 1620 O ILE A 109 -5.520 -4.134 3.452 1.00 0.97 O ATOM 1621 CB ILE A 109 -4.550 -5.645 0.862 1.00 0.92 C ATOM 1622 CG1 ILE A 109 -4.825 -6.311 -0.475 1.00 2.12 C ATOM 1623 CG2 ILE A 109 -3.140 -6.075 1.286 1.00 1.63 C ATOM 1624 CD1 ILE A 109 -5.696 -5.467 -1.406 1.00 3.34 C ATOM 0 H ILE A 109 -6.902 -4.527 1.309 1.00 1.08 H new ATOM 0 HA ILE A 109 -5.652 -7.084 2.054 1.00 0.83 H new ATOM 0 HB ILE A 109 -4.614 -4.562 0.759 1.00 0.92 H new ATOM 0 HG12 ILE A 109 -3.877 -6.522 -0.969 1.00 2.12 H new ATOM 0 HG13 ILE A 109 -5.314 -7.269 -0.301 1.00 2.12 H new ATOM 0 HG21 ILE A 109 -2.428 -5.808 0.505 1.00 1.63 H new ATOM 0 HG22 ILE A 109 -2.869 -5.569 2.213 1.00 1.63 H new ATOM 0 HG23 ILE A 109 -3.120 -7.154 1.442 1.00 1.63 H new ATOM 0 HD11 ILE A 109 -5.853 -6.002 -2.342 1.00 3.34 H new ATOM 0 HD12 ILE A 109 -6.659 -5.277 -0.931 1.00 3.34 H new ATOM 0 HD13 ILE A 109 -5.199 -4.519 -1.609 1.00 3.34 H new ATOM 1636 N SER A 110 -4.426 -5.985 4.087 1.00 0.67 N ATOM 1637 CA SER A 110 -3.657 -5.320 5.124 1.00 0.92 C ATOM 1638 C SER A 110 -2.329 -6.051 5.312 1.00 0.73 C ATOM 1639 O SER A 110 -2.312 -7.279 5.351 1.00 1.08 O ATOM 1640 CB SER A 110 -4.471 -5.224 6.420 1.00 1.40 C ATOM 1641 OG SER A 110 -5.066 -6.470 6.742 1.00 1.57 O ATOM 0 H SER A 110 -4.314 -6.999 4.067 1.00 0.67 H new ATOM 0 HA SER A 110 -3.433 -4.296 4.826 1.00 0.92 H new ATOM 0 HB2 SER A 110 -3.824 -4.905 7.237 1.00 1.40 H new ATOM 0 HB3 SER A 110 -5.246 -4.465 6.311 1.00 1.40 H new ATOM 0 HG SER A 110 -5.578 -6.383 7.573 1.00 1.57 H new ATOM 1647 N GLY A 111 -1.219 -5.307 5.379 1.00 0.64 N ATOM 1648 CA GLY A 111 0.118 -5.870 5.588 1.00 0.73 C ATOM 1649 C GLY A 111 0.982 -4.997 6.504 1.00 0.62 C ATOM 1650 O GLY A 111 0.653 -3.834 6.731 1.00 0.89 O ATOM 0 H GLY A 111 -1.224 -4.291 5.289 1.00 0.64 H new ATOM 0 HA2 GLY A 111 0.026 -6.866 6.021 1.00 0.73 H new ATOM 0 HA3 GLY A 111 0.616 -5.985 4.625 1.00 0.73 H new ATOM 1654 N SER A 112 2.091 -5.546 7.017 1.00 0.71 N ATOM 1655 CA SER A 112 3.073 -4.802 7.807 1.00 0.64 C ATOM 1656 C SER A 112 3.965 -3.966 6.889 1.00 0.51 C ATOM 1657 O SER A 112 4.057 -4.249 5.695 1.00 0.56 O ATOM 1658 CB SER A 112 3.977 -5.752 8.604 1.00 1.00 C ATOM 1659 OG SER A 112 3.290 -6.359 9.676 1.00 1.72 O ATOM 0 H SER A 112 2.331 -6.529 6.892 1.00 0.71 H new ATOM 0 HA SER A 112 2.519 -4.161 8.493 1.00 0.64 H new ATOM 0 HB2 SER A 112 4.367 -6.523 7.940 1.00 1.00 H new ATOM 0 HB3 SER A 112 4.834 -5.199 8.989 1.00 1.00 H new ATOM 0 HG SER A 112 3.906 -6.492 10.426 1.00 1.72 H new ATOM 1665 N VAL A 113 4.663 -2.976 7.451 1.00 0.52 N ATOM 1666 CA VAL A 113 5.729 -2.258 6.765 1.00 0.51 C ATOM 1667 C VAL A 113 6.980 -2.264 7.648 1.00 0.55 C ATOM 1668 O VAL A 113 6.875 -2.413 8.865 1.00 0.61 O ATOM 1669 CB VAL A 113 5.292 -0.837 6.353 1.00 0.58 C ATOM 1670 CG1 VAL A 113 3.801 -0.744 6.003 1.00 0.70 C ATOM 1671 CG2 VAL A 113 5.593 0.207 7.430 1.00 0.69 C ATOM 0 H VAL A 113 4.499 -2.651 8.404 1.00 0.52 H new ATOM 0 HA VAL A 113 5.966 -2.766 5.830 1.00 0.51 H new ATOM 0 HB VAL A 113 5.882 -0.623 5.462 1.00 0.58 H new ATOM 0 HG11 VAL A 113 3.557 0.280 5.722 1.00 0.70 H new ATOM 0 HG12 VAL A 113 3.580 -1.412 5.170 1.00 0.70 H new ATOM 0 HG13 VAL A 113 3.205 -1.035 6.868 1.00 0.70 H new ATOM 0 HG21 VAL A 113 5.265 1.188 7.087 1.00 0.69 H new ATOM 0 HG22 VAL A 113 5.064 -0.053 8.347 1.00 0.69 H new ATOM 0 HG23 VAL A 113 6.665 0.230 7.625 1.00 0.69 H new ATOM 1681 N LEU A 114 8.151 -2.102 7.032 1.00 0.66 N ATOM 1682 CA LEU A 114 9.453 -2.223 7.666 1.00 0.70 C ATOM 1683 C LEU A 114 10.328 -1.067 7.207 1.00 0.78 C ATOM 1684 O LEU A 114 10.645 -0.935 6.025 1.00 0.92 O ATOM 1685 CB LEU A 114 10.016 -3.599 7.312 1.00 0.84 C ATOM 1686 CG LEU A 114 11.500 -3.895 7.546 1.00 1.07 C ATOM 1687 CD1 LEU A 114 12.343 -3.747 6.275 1.00 1.55 C ATOM 1688 CD2 LEU A 114 12.130 -3.266 8.785 1.00 3.22 C ATOM 0 H LEU A 114 8.215 -1.874 6.040 1.00 0.66 H new ATOM 0 HA LEU A 114 9.399 -2.159 8.753 1.00 0.70 H new ATOM 0 HB2 LEU A 114 9.444 -4.339 7.872 1.00 0.84 H new ATOM 0 HB3 LEU A 114 9.812 -3.772 6.255 1.00 0.84 H new ATOM 0 HG LEU A 114 11.509 -4.954 7.803 1.00 1.07 H new ATOM 0 HD11 LEU A 114 13.386 -3.969 6.502 1.00 1.55 H new ATOM 0 HD12 LEU A 114 11.981 -4.440 5.516 1.00 1.55 H new ATOM 0 HD13 LEU A 114 12.262 -2.726 5.902 1.00 1.55 H new ATOM 0 HD21 LEU A 114 13.181 -3.548 8.842 1.00 3.22 H new ATOM 0 HD22 LEU A 114 12.048 -2.181 8.724 1.00 3.22 H new ATOM 0 HD23 LEU A 114 11.611 -3.619 9.676 1.00 3.22 H new ATOM 1700 N TYR A 115 10.715 -0.225 8.165 1.00 0.98 N ATOM 1701 CA TYR A 115 11.558 0.953 7.960 1.00 1.23 C ATOM 1702 C TYR A 115 13.006 0.475 7.874 1.00 1.17 C ATOM 1703 O TYR A 115 13.838 0.841 8.703 1.00 1.44 O ATOM 1704 CB TYR A 115 11.371 2.007 9.074 1.00 1.63 C ATOM 1705 CG TYR A 115 10.232 2.994 8.900 1.00 2.29 C ATOM 1706 CD1 TYR A 115 8.960 2.580 8.465 1.00 3.71 C ATOM 1707 CD2 TYR A 115 10.467 4.361 9.138 1.00 2.87 C ATOM 1708 CE1 TYR A 115 7.993 3.538 8.107 1.00 5.25 C ATOM 1709 CE2 TYR A 115 9.503 5.316 8.783 1.00 4.20 C ATOM 1710 CZ TYR A 115 8.283 4.908 8.229 1.00 5.33 C ATOM 1711 OH TYR A 115 7.398 5.848 7.794 1.00 6.92 O ATOM 0 H TYR A 115 10.441 -0.349 9.140 1.00 0.98 H new ATOM 0 HA TYR A 115 11.270 1.454 7.036 1.00 1.23 H new ATOM 0 HB2 TYR A 115 11.223 1.481 10.017 1.00 1.63 H new ATOM 0 HB3 TYR A 115 12.299 2.572 9.166 1.00 1.63 H new ATOM 0 HD1 TYR A 115 8.725 1.527 8.406 1.00 3.71 H new ATOM 0 HD2 TYR A 115 11.393 4.676 9.596 1.00 2.87 H new ATOM 0 HE1 TYR A 115 7.029 3.221 7.739 1.00 5.25 H new ATOM 0 HE2 TYR A 115 9.702 6.366 8.937 1.00 4.20 H new ATOM 0 HH TYR A 115 7.763 6.742 7.959 1.00 6.92 H new ATOM 1721 N ASN A 116 13.285 -0.387 6.892 1.00 1.04 N ATOM 1722 CA ASN A 116 14.598 -0.944 6.573 1.00 1.13 C ATOM 1723 C ASN A 116 15.123 -1.908 7.648 1.00 0.93 C ATOM 1724 O ASN A 116 15.426 -3.056 7.341 1.00 1.16 O ATOM 1725 CB ASN A 116 15.552 0.199 6.230 1.00 1.50 C ATOM 1726 CG ASN A 116 16.857 -0.244 5.585 1.00 2.25 C ATOM 1727 OD1 ASN A 116 17.311 -1.370 5.742 1.00 3.10 O ATOM 1728 ND2 ASN A 116 17.467 0.668 4.839 1.00 2.80 N ATOM 0 H ASN A 116 12.559 -0.733 6.265 1.00 1.04 H new ATOM 0 HA ASN A 116 14.512 -1.581 5.693 1.00 1.13 H new ATOM 0 HB2 ASN A 116 15.044 0.890 5.557 1.00 1.50 H new ATOM 0 HB3 ASN A 116 15.780 0.751 7.141 1.00 1.50 H new ATOM 0 HD21 ASN A 116 18.345 0.441 4.373 1.00 2.80 H new ATOM 0 HD22 ASN A 116 17.058 1.596 4.732 1.00 2.80 H new ATOM 1735 N GLN A 117 15.206 -1.470 8.910 1.00 0.91 N ATOM 1736 CA GLN A 117 15.649 -2.285 10.038 1.00 1.15 C ATOM 1737 C GLN A 117 14.685 -2.232 11.233 1.00 1.59 C ATOM 1738 O GLN A 117 15.017 -2.760 12.291 1.00 2.44 O ATOM 1739 CB GLN A 117 17.068 -1.879 10.484 1.00 1.26 C ATOM 1740 CG GLN A 117 18.068 -1.625 9.339 1.00 1.34 C ATOM 1741 CD GLN A 117 18.148 -0.183 8.822 1.00 1.59 C ATOM 1742 OE1 GLN A 117 17.296 0.730 9.281 1.00 2.86 O flip ATOM 1743 NE2 GLN A 117 19.009 0.129 8.006 1.00 1.64 N flip ATOM 0 H GLN A 117 14.960 -0.517 9.177 1.00 0.91 H new ATOM 0 HA GLN A 117 15.662 -3.316 9.683 1.00 1.15 H new ATOM 0 HB2 GLN A 117 16.997 -0.976 11.090 1.00 1.26 H new ATOM 0 HB3 GLN A 117 17.468 -2.663 11.127 1.00 1.26 H new ATOM 0 HG2 GLN A 117 19.060 -1.924 9.677 1.00 1.34 H new ATOM 0 HG3 GLN A 117 17.806 -2.275 8.504 1.00 1.34 H new ATOM 0 HE21 GLN A 117 19.660 -0.575 7.657 1.00 1.64 H new ATOM 0 HE22 GLN A 117 19.074 1.092 7.676 1.00 1.64 H new ATOM 1752 N ALA A 118 13.511 -1.600 11.098 1.00 1.21 N ATOM 1753 CA ALA A 118 12.537 -1.481 12.180 1.00 1.50 C ATOM 1754 C ALA A 118 11.128 -1.736 11.654 1.00 1.22 C ATOM 1755 O ALA A 118 10.621 -0.941 10.865 1.00 1.32 O ATOM 1756 CB ALA A 118 12.615 -0.081 12.795 1.00 1.88 C ATOM 0 H ALA A 118 13.213 -1.156 10.229 1.00 1.21 H new ATOM 0 HA ALA A 118 12.767 -2.224 12.943 1.00 1.50 H new ATOM 0 HB1 ALA A 118 11.887 0.003 13.602 1.00 1.88 H new ATOM 0 HB2 ALA A 118 13.616 0.087 13.191 1.00 1.88 H new ATOM 0 HB3 ALA A 118 12.397 0.665 12.031 1.00 1.88 H new ATOM 1762 N GLU A 119 10.481 -2.818 12.097 1.00 1.15 N ATOM 1763 CA GLU A 119 9.044 -2.972 11.944 1.00 1.20 C ATOM 1764 C GLU A 119 8.407 -2.375 13.199 1.00 1.39 C ATOM 1765 O GLU A 119 8.665 -2.874 14.288 1.00 2.20 O ATOM 1766 CB GLU A 119 8.655 -4.458 11.800 1.00 1.55 C ATOM 1767 CG GLU A 119 7.196 -4.612 11.307 1.00 1.79 C ATOM 1768 CD GLU A 119 6.423 -5.800 11.880 1.00 2.79 C ATOM 1769 OE1 GLU A 119 6.826 -6.307 12.950 1.00 3.81 O ATOM 1770 OE2 GLU A 119 5.344 -6.107 11.332 1.00 3.35 O ATOM 0 H GLU A 119 10.939 -3.600 12.566 1.00 1.15 H new ATOM 0 HA GLU A 119 8.698 -2.467 11.042 1.00 1.20 H new ATOM 0 HB2 GLU A 119 9.332 -4.947 11.099 1.00 1.55 H new ATOM 0 HB3 GLU A 119 8.772 -4.961 12.760 1.00 1.55 H new ATOM 0 HG2 GLU A 119 6.652 -3.698 11.548 1.00 1.79 H new ATOM 0 HG3 GLU A 119 7.207 -4.699 10.221 1.00 1.79 H new ATOM 1777 N LYS A 120 7.566 -1.352 13.034 1.00 0.89 N ATOM 1778 CA LYS A 120 6.332 -1.105 13.769 1.00 0.81 C ATOM 1779 C LYS A 120 5.485 -0.119 12.981 1.00 0.82 C ATOM 1780 O LYS A 120 5.226 1.020 13.374 1.00 1.09 O ATOM 1781 CB LYS A 120 6.512 -0.742 15.244 1.00 1.13 C ATOM 1782 CG LYS A 120 6.599 -1.955 16.185 1.00 1.55 C ATOM 1783 CD LYS A 120 5.628 -3.107 15.883 1.00 1.77 C ATOM 1784 CE LYS A 120 6.213 -4.237 15.009 1.00 2.71 C ATOM 1785 NZ LYS A 120 5.352 -5.430 14.893 1.00 3.46 N ATOM 0 H LYS A 120 7.744 -0.629 12.337 1.00 0.89 H new ATOM 0 HA LYS A 120 5.795 -2.050 13.846 1.00 0.81 H new ATOM 0 HB2 LYS A 120 7.419 -0.147 15.352 1.00 1.13 H new ATOM 0 HB3 LYS A 120 5.678 -0.113 15.556 1.00 1.13 H new ATOM 0 HG2 LYS A 120 7.617 -2.344 16.152 1.00 1.55 H new ATOM 0 HG3 LYS A 120 6.422 -1.613 17.205 1.00 1.55 H new ATOM 0 HD2 LYS A 120 5.290 -3.535 16.827 1.00 1.77 H new ATOM 0 HD3 LYS A 120 4.748 -2.700 15.384 1.00 1.77 H new ATOM 0 HE2 LYS A 120 6.404 -3.844 14.010 1.00 2.71 H new ATOM 0 HE3 LYS A 120 7.175 -4.538 15.423 1.00 2.71 H new ATOM 0 HZ1 LYS A 120 5.795 -6.117 14.250 1.00 3.46 H new ATOM 0 HZ2 LYS A 120 5.230 -5.862 15.831 1.00 3.46 H new ATOM 0 HZ3 LYS A 120 4.423 -5.153 14.516 1.00 3.46 H new ATOM 1799 N GLY A 121 5.012 -0.641 11.855 1.00 0.66 N ATOM 1800 CA GLY A 121 4.003 -0.015 11.049 1.00 0.63 C ATOM 1801 C GLY A 121 3.295 -1.091 10.248 1.00 0.58 C ATOM 1802 O GLY A 121 3.843 -2.173 10.025 1.00 0.71 O ATOM 0 H GLY A 121 5.335 -1.533 11.479 1.00 0.66 H new ATOM 0 HA2 GLY A 121 3.292 0.519 11.679 1.00 0.63 H new ATOM 0 HA3 GLY A 121 4.453 0.720 10.382 1.00 0.63 H new ATOM 1806 N SER A 122 2.074 -0.793 9.830 1.00 0.69 N ATOM 1807 CA SER A 122 1.250 -1.624 8.987 1.00 0.84 C ATOM 1808 C SER A 122 0.301 -0.722 8.211 1.00 0.55 C ATOM 1809 O SER A 122 0.160 0.459 8.538 1.00 0.56 O ATOM 1810 CB SER A 122 0.513 -2.641 9.860 1.00 1.18 C ATOM 1811 OG SER A 122 -0.294 -1.987 10.822 1.00 1.17 O ATOM 0 H SER A 122 1.614 0.081 10.087 1.00 0.69 H new ATOM 0 HA SER A 122 1.845 -2.186 8.267 1.00 0.84 H new ATOM 0 HB2 SER A 122 -0.107 -3.282 9.234 1.00 1.18 H new ATOM 0 HB3 SER A 122 1.234 -3.286 10.362 1.00 1.18 H new ATOM 0 HG SER A 122 -0.758 -2.655 11.369 1.00 1.17 H new ATOM 1817 N TYR A 123 -0.336 -1.263 7.174 1.00 0.56 N ATOM 1818 CA TYR A 123 -1.314 -0.517 6.412 1.00 0.51 C ATOM 1819 C TYR A 123 -2.539 -1.356 6.098 1.00 0.48 C ATOM 1820 O TYR A 123 -2.494 -2.587 6.145 1.00 0.52 O ATOM 1821 CB TYR A 123 -0.665 0.165 5.195 1.00 1.00 C ATOM 1822 CG TYR A 123 -0.616 -0.545 3.852 1.00 0.69 C ATOM 1823 CD1 TYR A 123 -0.577 0.249 2.691 1.00 1.84 C ATOM 1824 CD2 TYR A 123 -0.540 -1.946 3.732 1.00 1.79 C ATOM 1825 CE1 TYR A 123 -0.539 -0.349 1.424 1.00 2.06 C ATOM 1826 CE2 TYR A 123 -0.583 -2.548 2.460 1.00 2.27 C ATOM 1827 CZ TYR A 123 -0.598 -1.744 1.307 1.00 1.82 C ATOM 1828 OH TYR A 123 -0.749 -2.286 0.067 1.00 2.52 O ATOM 0 H TYR A 123 -0.186 -2.218 6.848 1.00 0.56 H new ATOM 0 HA TYR A 123 -1.693 0.299 7.027 1.00 0.51 H new ATOM 0 HB2 TYR A 123 -1.184 1.111 5.041 1.00 1.00 H new ATOM 0 HB3 TYR A 123 0.362 0.406 5.470 1.00 1.00 H new ATOM 0 HD1 TYR A 123 -0.576 1.326 2.777 1.00 1.84 H new ATOM 0 HD2 TYR A 123 -0.449 -2.559 4.616 1.00 1.79 H new ATOM 0 HE1 TYR A 123 -0.464 0.265 0.539 1.00 2.06 H new ATOM 0 HE2 TYR A 123 -0.604 -3.624 2.370 1.00 2.27 H new ATOM 0 HH TYR A 123 -0.693 -3.263 0.128 1.00 2.52 H new ATOM 1838 N SER A 124 -3.630 -0.657 5.802 1.00 0.63 N ATOM 1839 CA SER A 124 -4.919 -1.194 5.434 1.00 0.80 C ATOM 1840 C SER A 124 -5.196 -0.569 4.080 1.00 0.77 C ATOM 1841 O SER A 124 -5.406 0.646 4.015 1.00 0.90 O ATOM 1842 CB SER A 124 -5.961 -0.773 6.478 1.00 0.90 C ATOM 1843 OG SER A 124 -5.857 0.612 6.749 1.00 1.86 O ATOM 0 H SER A 124 -3.629 0.363 5.816 1.00 0.63 H new ATOM 0 HA SER A 124 -4.951 -2.283 5.390 1.00 0.80 H new ATOM 0 HB2 SER A 124 -6.962 -1.005 6.115 1.00 0.90 H new ATOM 0 HB3 SER A 124 -5.815 -1.342 7.396 1.00 0.90 H new ATOM 0 HG SER A 124 -5.652 1.093 5.920 1.00 1.86 H new ATOM 1849 N LEU A 125 -5.108 -1.372 3.023 1.00 0.77 N ATOM 1850 CA LEU A 125 -5.231 -0.907 1.651 1.00 0.80 C ATOM 1851 C LEU A 125 -6.376 -1.633 0.969 1.00 0.91 C ATOM 1852 O LEU A 125 -6.510 -2.846 1.081 1.00 1.04 O ATOM 1853 CB LEU A 125 -3.891 -1.120 0.951 1.00 0.88 C ATOM 1854 CG LEU A 125 -3.818 -0.738 -0.527 1.00 0.95 C ATOM 1855 CD1 LEU A 125 -4.321 -1.843 -1.459 1.00 1.15 C ATOM 1856 CD2 LEU A 125 -4.352 0.662 -0.833 1.00 0.92 C ATOM 0 H LEU A 125 -4.947 -2.376 3.100 1.00 0.77 H new ATOM 0 HA LEU A 125 -5.467 0.156 1.610 1.00 0.80 H new ATOM 0 HB2 LEU A 125 -3.133 -0.549 1.487 1.00 0.88 H new ATOM 0 HB3 LEU A 125 -3.623 -2.172 1.044 1.00 0.88 H new ATOM 0 HG LEU A 125 -2.756 -0.655 -0.758 1.00 0.95 H new ATOM 0 HD11 LEU A 125 -4.243 -1.510 -2.494 1.00 1.15 H new ATOM 0 HD12 LEU A 125 -3.717 -2.739 -1.320 1.00 1.15 H new ATOM 0 HD13 LEU A 125 -5.362 -2.068 -1.228 1.00 1.15 H new ATOM 0 HD21 LEU A 125 -4.266 0.859 -1.902 1.00 0.92 H new ATOM 0 HD22 LEU A 125 -5.399 0.725 -0.535 1.00 0.92 H new ATOM 0 HD23 LEU A 125 -3.772 1.401 -0.280 1.00 0.92 H new ATOM 1868 N GLY A 126 -7.193 -0.889 0.237 1.00 0.87 N ATOM 1869 CA GLY A 126 -8.290 -1.407 -0.556 1.00 0.89 C ATOM 1870 C GLY A 126 -8.096 -0.942 -1.990 1.00 0.91 C ATOM 1871 O GLY A 126 -7.481 0.090 -2.239 1.00 1.15 O ATOM 0 H GLY A 126 -7.104 0.125 0.179 1.00 0.87 H new ATOM 0 HA2 GLY A 126 -8.313 -2.496 -0.509 1.00 0.89 H new ATOM 0 HA3 GLY A 126 -9.243 -1.051 -0.166 1.00 0.89 H new ATOM 1875 N ILE A 127 -8.612 -1.706 -2.947 1.00 0.99 N ATOM 1876 CA ILE A 127 -8.793 -1.203 -4.297 1.00 0.90 C ATOM 1877 C ILE A 127 -10.066 -0.356 -4.296 1.00 0.98 C ATOM 1878 O ILE A 127 -10.960 -0.619 -3.496 1.00 1.27 O ATOM 1879 CB ILE A 127 -8.878 -2.386 -5.272 1.00 1.11 C ATOM 1880 CG1 ILE A 127 -8.894 -1.865 -6.717 1.00 1.31 C ATOM 1881 CG2 ILE A 127 -10.108 -3.259 -5.004 1.00 1.60 C ATOM 1882 CD1 ILE A 127 -8.953 -3.001 -7.730 1.00 2.37 C ATOM 0 H ILE A 127 -8.910 -2.672 -2.810 1.00 0.99 H new ATOM 0 HA ILE A 127 -7.955 -0.585 -4.621 1.00 0.90 H new ATOM 0 HB ILE A 127 -7.999 -3.012 -5.120 1.00 1.11 H new ATOM 0 HG12 ILE A 127 -9.753 -1.209 -6.857 1.00 1.31 H new ATOM 0 HG13 ILE A 127 -8.002 -1.265 -6.896 1.00 1.31 H new ATOM 0 HG21 ILE A 127 -10.130 -4.084 -5.716 1.00 1.60 H new ATOM 0 HG22 ILE A 127 -10.059 -3.655 -3.990 1.00 1.60 H new ATOM 0 HG23 ILE A 127 -11.011 -2.659 -5.116 1.00 1.60 H new ATOM 0 HD11 ILE A 127 -8.963 -2.589 -8.739 1.00 2.37 H new ATOM 0 HD12 ILE A 127 -8.080 -3.643 -7.609 1.00 2.37 H new ATOM 0 HD13 ILE A 127 -9.858 -3.586 -7.568 1.00 2.37 H new ATOM 1894 N PHE A 128 -10.179 0.637 -5.183 1.00 0.95 N ATOM 1895 CA PHE A 128 -11.448 1.294 -5.439 1.00 1.12 C ATOM 1896 C PHE A 128 -11.457 1.940 -6.825 1.00 1.40 C ATOM 1897 O PHE A 128 -10.420 2.089 -7.487 1.00 1.79 O ATOM 1898 CB PHE A 128 -11.812 2.256 -4.292 1.00 2.26 C ATOM 1899 CG PHE A 128 -13.070 3.074 -4.508 1.00 2.55 C ATOM 1900 CD1 PHE A 128 -14.323 2.437 -4.539 1.00 3.33 C ATOM 1901 CD2 PHE A 128 -12.970 4.435 -4.847 1.00 3.50 C ATOM 1902 CE1 PHE A 128 -15.470 3.155 -4.920 1.00 4.04 C ATOM 1903 CE2 PHE A 128 -14.116 5.158 -5.215 1.00 4.42 C ATOM 1904 CZ PHE A 128 -15.368 4.519 -5.253 1.00 4.36 C ATOM 0 H PHE A 128 -9.400 0.999 -5.733 1.00 0.95 H new ATOM 0 HA PHE A 128 -12.242 0.547 -5.457 1.00 1.12 H new ATOM 0 HB2 PHE A 128 -11.928 1.676 -3.376 1.00 2.26 H new ATOM 0 HB3 PHE A 128 -10.977 2.939 -4.133 1.00 2.26 H new ATOM 0 HD1 PHE A 128 -14.404 1.394 -4.270 1.00 3.33 H new ATOM 0 HD2 PHE A 128 -12.008 4.926 -4.824 1.00 3.50 H new ATOM 0 HE1 PHE A 128 -16.429 2.660 -4.957 1.00 4.04 H new ATOM 0 HE2 PHE A 128 -14.036 6.205 -5.469 1.00 4.42 H new ATOM 0 HZ PHE A 128 -16.250 5.074 -5.537 1.00 4.36 H new ATOM 1914 N GLY A 129 -12.682 2.183 -7.301 1.00 1.95 N ATOM 1915 CA GLY A 129 -13.001 2.467 -8.687 1.00 2.70 C ATOM 1916 C GLY A 129 -13.328 1.172 -9.443 1.00 1.90 C ATOM 1917 O GLY A 129 -13.825 1.210 -10.572 1.00 2.43 O ATOM 0 H GLY A 129 -13.506 2.185 -6.700 1.00 1.95 H new ATOM 0 HA2 GLY A 129 -13.850 3.148 -8.738 1.00 2.70 H new ATOM 0 HA3 GLY A 129 -12.160 2.970 -9.164 1.00 2.70 H new ATOM 1921 N GLY A 130 -13.025 0.019 -8.842 1.00 1.64 N ATOM 1922 CA GLY A 130 -13.325 -1.294 -9.391 1.00 2.26 C ATOM 1923 C GLY A 130 -12.248 -1.649 -10.401 1.00 2.29 C ATOM 1924 O GLY A 130 -11.380 -2.476 -10.125 1.00 3.45 O ATOM 0 H GLY A 130 -12.553 -0.022 -7.939 1.00 1.64 H new ATOM 0 HA2 GLY A 130 -13.359 -2.039 -8.596 1.00 2.26 H new ATOM 0 HA3 GLY A 130 -14.305 -1.291 -9.867 1.00 2.26 H new ATOM 1928 N LYS A 131 -12.216 -0.931 -11.528 1.00 1.53 N ATOM 1929 CA LYS A 131 -11.127 -1.037 -12.494 1.00 1.43 C ATOM 1930 C LYS A 131 -9.882 -0.280 -12.003 1.00 1.25 C ATOM 1931 O LYS A 131 -9.323 0.523 -12.741 1.00 1.70 O ATOM 1932 CB LYS A 131 -11.607 -0.668 -13.915 1.00 1.70 C ATOM 1933 CG LYS A 131 -12.080 0.783 -14.074 1.00 1.98 C ATOM 1934 CD LYS A 131 -12.510 1.112 -15.507 1.00 2.34 C ATOM 1935 CE LYS A 131 -12.774 2.624 -15.600 1.00 2.92 C ATOM 1936 NZ LYS A 131 -13.189 3.053 -16.951 1.00 3.69 N ATOM 0 H LYS A 131 -12.942 -0.265 -11.792 1.00 1.53 H new ATOM 0 HA LYS A 131 -10.808 -2.076 -12.573 1.00 1.43 H new ATOM 0 HB2 LYS A 131 -10.794 -0.850 -14.617 1.00 1.70 H new ATOM 0 HB3 LYS A 131 -12.423 -1.335 -14.193 1.00 1.70 H new ATOM 0 HG2 LYS A 131 -12.915 0.964 -13.398 1.00 1.98 H new ATOM 0 HG3 LYS A 131 -11.277 1.457 -13.776 1.00 1.98 H new ATOM 0 HD2 LYS A 131 -11.733 0.819 -16.213 1.00 2.34 H new ATOM 0 HD3 LYS A 131 -13.408 0.553 -15.771 1.00 2.34 H new ATOM 0 HE2 LYS A 131 -13.549 2.897 -14.884 1.00 2.92 H new ATOM 0 HE3 LYS A 131 -11.871 3.164 -15.314 1.00 2.92 H new ATOM 0 HZ1 LYS A 131 -13.353 4.080 -16.954 1.00 3.69 H new ATOM 0 HZ2 LYS A 131 -12.441 2.820 -17.634 1.00 3.69 H new ATOM 0 HZ3 LYS A 131 -14.066 2.562 -17.217 1.00 3.69 H new ATOM 1950 N ALA A 132 -9.466 -0.544 -10.754 1.00 1.02 N ATOM 1951 CA ALA A 132 -8.302 -0.015 -10.062 1.00 0.93 C ATOM 1952 C ALA A 132 -7.987 1.429 -10.448 1.00 0.96 C ATOM 1953 O ALA A 132 -7.113 1.645 -11.276 1.00 1.26 O ATOM 1954 CB ALA A 132 -7.092 -0.922 -10.313 1.00 1.07 C ATOM 0 H ALA A 132 -9.987 -1.189 -10.160 1.00 1.02 H new ATOM 0 HA ALA A 132 -8.535 -0.003 -8.997 1.00 0.93 H new ATOM 0 HB1 ALA A 132 -6.222 -0.521 -9.792 1.00 1.07 H new ATOM 0 HB2 ALA A 132 -7.306 -1.925 -9.943 1.00 1.07 H new ATOM 0 HB3 ALA A 132 -6.886 -0.966 -11.382 1.00 1.07 H new ATOM 1960 N GLN A 133 -8.679 2.411 -9.858 1.00 0.92 N ATOM 1961 CA GLN A 133 -8.389 3.823 -10.127 1.00 1.06 C ATOM 1962 C GLN A 133 -7.830 4.518 -8.886 1.00 1.14 C ATOM 1963 O GLN A 133 -6.907 5.327 -8.979 1.00 1.38 O ATOM 1964 CB GLN A 133 -9.621 4.538 -10.683 1.00 1.07 C ATOM 1965 CG GLN A 133 -9.909 4.066 -12.120 1.00 1.33 C ATOM 1966 CD GLN A 133 -11.367 3.685 -12.287 1.00 1.58 C ATOM 1967 OE1 GLN A 133 -12.130 4.313 -13.015 1.00 1.90 O ATOM 1968 NE2 GLN A 133 -11.748 2.611 -11.611 1.00 2.52 N ATOM 0 H GLN A 133 -9.439 2.255 -9.196 1.00 0.92 H new ATOM 0 HA GLN A 133 -7.616 3.872 -10.893 1.00 1.06 H new ATOM 0 HB2 GLN A 133 -10.484 4.338 -10.047 1.00 1.07 H new ATOM 0 HB3 GLN A 133 -9.460 5.616 -10.672 1.00 1.07 H new ATOM 0 HG2 GLN A 133 -9.654 4.858 -12.824 1.00 1.33 H new ATOM 0 HG3 GLN A 133 -9.277 3.211 -12.359 1.00 1.33 H new ATOM 0 HE21 GLN A 133 -11.081 2.119 -11.017 1.00 2.52 H new ATOM 0 HE22 GLN A 133 -12.709 2.276 -11.685 1.00 2.52 H new ATOM 1977 N GLU A 134 -8.391 4.199 -7.720 1.00 1.06 N ATOM 1978 CA GLU A 134 -8.003 4.788 -6.455 1.00 1.20 C ATOM 1979 C GLU A 134 -7.792 3.646 -5.472 1.00 1.13 C ATOM 1980 O GLU A 134 -8.759 3.102 -4.948 1.00 1.62 O ATOM 1981 CB GLU A 134 -9.118 5.729 -5.990 1.00 1.40 C ATOM 1982 CG GLU A 134 -9.346 6.852 -7.009 1.00 1.50 C ATOM 1983 CD GLU A 134 -10.391 7.850 -6.538 1.00 1.99 C ATOM 1984 OE1 GLU A 134 -11.333 7.423 -5.839 1.00 2.95 O ATOM 1985 OE2 GLU A 134 -10.215 9.028 -6.921 1.00 2.37 O ATOM 0 H GLU A 134 -9.140 3.512 -7.635 1.00 1.06 H new ATOM 0 HA GLU A 134 -7.085 5.369 -6.537 1.00 1.20 H new ATOM 0 HB2 GLU A 134 -10.041 5.166 -5.851 1.00 1.40 H new ATOM 0 HB3 GLU A 134 -8.858 6.158 -5.022 1.00 1.40 H new ATOM 0 HG2 GLU A 134 -8.405 7.372 -7.191 1.00 1.50 H new ATOM 0 HG3 GLU A 134 -9.660 6.420 -7.959 1.00 1.50 H new ATOM 1992 N VAL A 135 -6.543 3.255 -5.215 1.00 0.87 N ATOM 1993 CA VAL A 135 -6.290 2.228 -4.218 1.00 0.92 C ATOM 1994 C VAL A 135 -6.391 2.888 -2.841 1.00 1.20 C ATOM 1995 O VAL A 135 -5.410 3.362 -2.282 1.00 1.96 O ATOM 1996 CB VAL A 135 -4.995 1.442 -4.497 1.00 0.82 C ATOM 1997 CG1 VAL A 135 -5.146 0.690 -5.818 1.00 0.86 C ATOM 1998 CG2 VAL A 135 -3.697 2.250 -4.583 1.00 0.90 C ATOM 0 H VAL A 135 -5.712 3.627 -5.674 1.00 0.87 H new ATOM 0 HA VAL A 135 -7.043 1.441 -4.259 1.00 0.92 H new ATOM 0 HB VAL A 135 -4.887 0.798 -3.624 1.00 0.82 H new ATOM 0 HG11 VAL A 135 -4.234 0.130 -6.024 1.00 0.86 H new ATOM 0 HG12 VAL A 135 -5.987 0.000 -5.750 1.00 0.86 H new ATOM 0 HG13 VAL A 135 -5.325 1.402 -6.624 1.00 0.86 H new ATOM 0 HG21 VAL A 135 -2.863 1.578 -4.783 1.00 0.90 H new ATOM 0 HG22 VAL A 135 -3.776 2.980 -5.388 1.00 0.90 H new ATOM 0 HG23 VAL A 135 -3.528 2.768 -3.639 1.00 0.90 H new ATOM 2008 N ALA A 136 -7.615 2.968 -2.320 1.00 0.92 N ATOM 2009 CA ALA A 136 -7.908 3.743 -1.127 1.00 1.06 C ATOM 2010 C ALA A 136 -7.421 2.973 0.101 1.00 0.99 C ATOM 2011 O ALA A 136 -7.780 1.812 0.294 1.00 1.03 O ATOM 2012 CB ALA A 136 -9.416 4.003 -1.051 1.00 1.29 C ATOM 0 H ALA A 136 -8.427 2.496 -2.717 1.00 0.92 H new ATOM 0 HA ALA A 136 -7.394 4.704 -1.162 1.00 1.06 H new ATOM 0 HB1 ALA A 136 -9.640 4.585 -0.157 1.00 1.29 H new ATOM 0 HB2 ALA A 136 -9.735 4.557 -1.934 1.00 1.29 H new ATOM 0 HB3 ALA A 136 -9.947 3.052 -1.008 1.00 1.29 H new ATOM 2018 N GLY A 137 -6.564 3.597 0.912 1.00 0.92 N ATOM 2019 CA GLY A 137 -5.952 2.959 2.062 1.00 0.86 C ATOM 2020 C GLY A 137 -5.500 3.987 3.088 1.00 0.78 C ATOM 2021 O GLY A 137 -5.616 5.194 2.874 1.00 0.88 O ATOM 0 H GLY A 137 -6.278 4.567 0.781 1.00 0.92 H new ATOM 0 HA2 GLY A 137 -6.663 2.272 2.521 1.00 0.86 H new ATOM 0 HA3 GLY A 137 -5.098 2.364 1.739 1.00 0.86 H new ATOM 2025 N SER A 138 -4.947 3.511 4.202 1.00 0.69 N ATOM 2026 CA SER A 138 -4.156 4.325 5.116 1.00 0.67 C ATOM 2027 C SER A 138 -3.124 3.421 5.786 1.00 0.61 C ATOM 2028 O SER A 138 -3.356 2.213 5.881 1.00 0.68 O ATOM 2029 CB SER A 138 -5.061 5.006 6.148 1.00 0.86 C ATOM 2030 OG SER A 138 -5.847 6.006 5.526 1.00 1.77 O ATOM 0 H SER A 138 -5.038 2.539 4.496 1.00 0.69 H new ATOM 0 HA SER A 138 -3.643 5.118 4.572 1.00 0.67 H new ATOM 0 HB2 SER A 138 -5.708 4.266 6.620 1.00 0.86 H new ATOM 0 HB3 SER A 138 -4.455 5.449 6.938 1.00 0.86 H new ATOM 0 HG SER A 138 -5.760 5.932 4.553 1.00 1.77 H new ATOM 2036 N ALA A 139 -1.999 3.999 6.221 1.00 0.66 N ATOM 2037 CA ALA A 139 -0.981 3.301 7.000 1.00 0.64 C ATOM 2038 C ALA A 139 -0.747 3.974 8.350 1.00 0.60 C ATOM 2039 O ALA A 139 -0.878 5.194 8.463 1.00 0.67 O ATOM 2040 CB ALA A 139 0.326 3.186 6.213 1.00 0.71 C ATOM 0 H ALA A 139 -1.771 4.976 6.038 1.00 0.66 H new ATOM 0 HA ALA A 139 -1.351 2.294 7.195 1.00 0.64 H new ATOM 0 HB1 ALA A 139 1.068 2.662 6.815 1.00 0.71 H new ATOM 0 HB2 ALA A 139 0.148 2.631 5.292 1.00 0.71 H new ATOM 0 HB3 ALA A 139 0.694 4.183 5.970 1.00 0.71 H new ATOM 2046 N GLU A 140 -0.385 3.157 9.346 1.00 0.61 N ATOM 2047 CA GLU A 140 0.156 3.574 10.635 1.00 0.69 C ATOM 2048 C GLU A 140 1.610 3.098 10.653 1.00 0.68 C ATOM 2049 O GLU A 140 1.870 1.948 10.300 1.00 1.08 O ATOM 2050 CB GLU A 140 -0.683 2.963 11.772 1.00 0.84 C ATOM 2051 CG GLU A 140 -0.070 3.092 13.180 1.00 1.84 C ATOM 2052 CD GLU A 140 0.265 4.523 13.581 1.00 2.94 C ATOM 2053 OE1 GLU A 140 -0.422 5.065 14.476 1.00 3.41 O ATOM 2054 OE2 GLU A 140 1.234 5.060 13.011 1.00 4.31 O ATOM 0 H GLU A 140 -0.467 2.143 9.267 1.00 0.61 H new ATOM 0 HA GLU A 140 0.119 4.654 10.780 1.00 0.69 H new ATOM 0 HB2 GLU A 140 -1.664 3.439 11.775 1.00 0.84 H new ATOM 0 HB3 GLU A 140 -0.842 1.906 11.558 1.00 0.84 H new ATOM 0 HG2 GLU A 140 -0.766 2.675 13.908 1.00 1.84 H new ATOM 0 HG3 GLU A 140 0.838 2.491 13.226 1.00 1.84 H new ATOM 2061 N VAL A 141 2.550 3.970 11.017 1.00 0.85 N ATOM 2062 CA VAL A 141 3.985 3.723 10.982 1.00 0.77 C ATOM 2063 C VAL A 141 4.666 4.522 12.094 1.00 0.77 C ATOM 2064 O VAL A 141 5.101 5.652 11.886 1.00 1.21 O ATOM 2065 CB VAL A 141 4.584 3.992 9.580 1.00 0.87 C ATOM 2066 CG1 VAL A 141 3.875 3.208 8.466 1.00 2.25 C ATOM 2067 CG2 VAL A 141 4.587 5.466 9.152 1.00 2.21 C ATOM 0 H VAL A 141 2.320 4.904 11.357 1.00 0.85 H new ATOM 0 HA VAL A 141 4.172 2.666 11.171 1.00 0.77 H new ATOM 0 HB VAL A 141 5.614 3.656 9.700 1.00 0.87 H new ATOM 0 HG11 VAL A 141 4.339 3.438 7.507 1.00 2.25 H new ATOM 0 HG12 VAL A 141 3.959 2.139 8.663 1.00 2.25 H new ATOM 0 HG13 VAL A 141 2.822 3.490 8.436 1.00 2.25 H new ATOM 0 HG21 VAL A 141 5.025 5.555 8.158 1.00 2.21 H new ATOM 0 HG22 VAL A 141 3.564 5.841 9.133 1.00 2.21 H new ATOM 0 HG23 VAL A 141 5.174 6.050 9.861 1.00 2.21 H new ATOM 2077 N LYS A 142 4.767 3.956 13.299 1.00 0.90 N ATOM 2078 CA LYS A 142 5.410 4.672 14.389 1.00 0.88 C ATOM 2079 C LYS A 142 6.890 4.319 14.387 1.00 0.95 C ATOM 2080 O LYS A 142 7.264 3.147 14.458 1.00 1.18 O ATOM 2081 CB LYS A 142 4.708 4.401 15.726 1.00 1.09 C ATOM 2082 CG LYS A 142 5.118 3.080 16.382 1.00 1.36 C ATOM 2083 CD LYS A 142 4.185 2.805 17.569 1.00 2.08 C ATOM 2084 CE LYS A 142 4.556 1.495 18.274 1.00 3.17 C ATOM 2085 NZ LYS A 142 3.673 1.224 19.429 1.00 4.16 N ATOM 0 H LYS A 142 4.419 3.027 13.536 1.00 0.90 H new ATOM 0 HA LYS A 142 5.323 5.749 14.245 1.00 0.88 H new ATOM 0 HB2 LYS A 142 4.925 5.220 16.412 1.00 1.09 H new ATOM 0 HB3 LYS A 142 3.630 4.397 15.566 1.00 1.09 H new ATOM 0 HG2 LYS A 142 5.059 2.266 15.660 1.00 1.36 H new ATOM 0 HG3 LYS A 142 6.153 3.132 16.720 1.00 1.36 H new ATOM 0 HD2 LYS A 142 4.241 3.631 18.278 1.00 2.08 H new ATOM 0 HD3 LYS A 142 3.154 2.754 17.220 1.00 2.08 H new ATOM 0 HE2 LYS A 142 4.491 0.670 17.565 1.00 3.17 H new ATOM 0 HE3 LYS A 142 5.591 1.544 18.612 1.00 3.17 H new ATOM 0 HZ1 LYS A 142 3.955 0.330 19.880 1.00 4.16 H new ATOM 0 HZ2 LYS A 142 3.754 1.999 20.117 1.00 4.16 H new ATOM 0 HZ3 LYS A 142 2.688 1.152 19.103 1.00 4.16 H new ATOM 2099 N THR A 143 7.754 5.323 14.304 1.00 1.08 N ATOM 2100 CA THR A 143 9.181 5.126 14.499 1.00 1.24 C ATOM 2101 C THR A 143 9.707 6.440 15.062 1.00 1.24 C ATOM 2102 O THR A 143 9.011 7.453 14.979 1.00 1.22 O ATOM 2103 CB THR A 143 9.856 4.696 13.178 1.00 1.40 C ATOM 2104 OG1 THR A 143 9.076 3.729 12.503 1.00 2.33 O ATOM 2105 CG2 THR A 143 11.249 4.095 13.379 1.00 2.16 C ATOM 0 H THR A 143 7.487 6.286 14.102 1.00 1.08 H new ATOM 0 HA THR A 143 9.405 4.318 15.195 1.00 1.24 H new ATOM 0 HB THR A 143 9.946 5.612 12.594 1.00 1.40 H new ATOM 0 HG1 THR A 143 9.522 3.473 11.669 1.00 2.33 H new ATOM 0 HG21 THR A 143 11.667 3.814 12.412 1.00 2.16 H new ATOM 0 HG22 THR A 143 11.897 4.831 13.855 1.00 2.16 H new ATOM 0 HG23 THR A 143 11.176 3.212 14.013 1.00 2.16 H new ATOM 2113 N VAL A 144 10.930 6.438 15.602 1.00 1.31 N ATOM 2114 CA VAL A 144 11.618 7.651 16.041 1.00 1.33 C ATOM 2115 C VAL A 144 11.510 8.737 14.961 1.00 1.25 C ATOM 2116 O VAL A 144 11.395 9.918 15.275 1.00 1.33 O ATOM 2117 CB VAL A 144 13.085 7.332 16.391 1.00 1.43 C ATOM 2118 CG1 VAL A 144 13.818 8.579 16.905 1.00 2.05 C ATOM 2119 CG2 VAL A 144 13.176 6.247 17.476 1.00 1.74 C ATOM 0 H VAL A 144 11.472 5.586 15.747 1.00 1.31 H new ATOM 0 HA VAL A 144 11.141 8.034 16.943 1.00 1.33 H new ATOM 0 HB VAL A 144 13.553 6.978 15.473 1.00 1.43 H new ATOM 0 HG11 VAL A 144 14.850 8.322 17.143 1.00 2.05 H new ATOM 0 HG12 VAL A 144 13.805 9.352 16.136 1.00 2.05 H new ATOM 0 HG13 VAL A 144 13.320 8.950 17.801 1.00 2.05 H new ATOM 0 HG21 VAL A 144 14.223 6.044 17.701 1.00 1.74 H new ATOM 0 HG22 VAL A 144 12.671 6.592 18.378 1.00 1.74 H new ATOM 0 HG23 VAL A 144 12.698 5.335 17.119 1.00 1.74 H new ATOM 2129 N ASN A 145 11.501 8.318 13.689 1.00 1.19 N ATOM 2130 CA ASN A 145 11.164 9.180 12.563 1.00 1.20 C ATOM 2131 C ASN A 145 10.169 8.436 11.674 1.00 1.09 C ATOM 2132 O ASN A 145 10.430 8.218 10.496 1.00 1.22 O ATOM 2133 CB ASN A 145 12.433 9.557 11.783 1.00 1.45 C ATOM 2134 CG ASN A 145 13.498 10.200 12.662 1.00 1.82 C ATOM 2135 OD1 ASN A 145 13.599 11.418 12.748 1.00 2.83 O ATOM 2136 ND2 ASN A 145 14.315 9.376 13.315 1.00 1.93 N ATOM 0 H ASN A 145 11.730 7.362 13.417 1.00 1.19 H new ATOM 0 HA ASN A 145 10.712 10.107 12.916 1.00 1.20 H new ATOM 0 HB2 ASN A 145 12.846 8.663 11.316 1.00 1.45 H new ATOM 0 HB3 ASN A 145 12.169 10.244 10.979 1.00 1.45 H new ATOM 0 HD21 ASN A 145 15.053 9.754 13.909 1.00 1.93 H new ATOM 0 HD22 ASN A 145 14.203 8.367 13.221 1.00 1.93 H new ATOM 2143 N GLY A 146 9.028 8.036 12.245 1.00 1.00 N ATOM 2144 CA GLY A 146 7.943 7.365 11.540 1.00 0.98 C ATOM 2145 C GLY A 146 6.690 8.206 11.715 1.00 0.85 C ATOM 2146 O GLY A 146 6.201 8.376 12.833 1.00 0.89 O ATOM 0 H GLY A 146 8.833 8.176 13.236 1.00 1.00 H new ATOM 0 HA2 GLY A 146 8.185 7.254 10.483 1.00 0.98 H new ATOM 0 HA3 GLY A 146 7.790 6.362 11.939 1.00 0.98 H new ATOM 2150 N ILE A 147 6.208 8.784 10.616 1.00 0.86 N ATOM 2151 CA ILE A 147 5.221 9.848 10.622 1.00 1.07 C ATOM 2152 C ILE A 147 3.812 9.251 10.671 1.00 1.25 C ATOM 2153 O ILE A 147 2.996 9.485 9.784 1.00 2.13 O ATOM 2154 CB ILE A 147 5.458 10.799 9.421 1.00 1.26 C ATOM 2155 CG1 ILE A 147 5.812 10.078 8.102 1.00 1.37 C ATOM 2156 CG2 ILE A 147 6.509 11.854 9.783 1.00 1.93 C ATOM 2157 CD1 ILE A 147 7.313 9.862 7.839 1.00 1.24 C ATOM 0 H ILE A 147 6.504 8.515 9.678 1.00 0.86 H new ATOM 0 HA ILE A 147 5.326 10.459 11.518 1.00 1.07 H new ATOM 0 HB ILE A 147 4.505 11.289 9.225 1.00 1.26 H new ATOM 0 HG12 ILE A 147 5.318 9.106 8.097 1.00 1.37 H new ATOM 0 HG13 ILE A 147 5.396 10.651 7.274 1.00 1.37 H new ATOM 0 HG21 ILE A 147 6.668 12.517 8.932 1.00 1.93 H new ATOM 0 HG22 ILE A 147 6.161 12.436 10.636 1.00 1.93 H new ATOM 0 HG23 ILE A 147 7.447 11.361 10.038 1.00 1.93 H new ATOM 0 HD11 ILE A 147 7.445 9.348 6.887 1.00 1.24 H new ATOM 0 HD12 ILE A 147 7.819 10.827 7.804 1.00 1.24 H new ATOM 0 HD13 ILE A 147 7.739 9.258 8.640 1.00 1.24 H new ATOM 2169 N ARG A 148 3.561 8.492 11.744 1.00 0.92 N ATOM 2170 CA ARG A 148 2.398 7.653 12.005 1.00 0.95 C ATOM 2171 C ARG A 148 1.340 7.601 10.902 1.00 0.88 C ATOM 2172 O ARG A 148 1.387 6.720 10.048 1.00 1.45 O ATOM 2173 CB ARG A 148 1.791 7.972 13.377 1.00 1.11 C ATOM 2174 CG ARG A 148 2.703 7.486 14.513 1.00 2.32 C ATOM 2175 CD ARG A 148 1.937 7.231 15.819 1.00 2.37 C ATOM 2176 NE ARG A 148 1.068 8.360 16.187 1.00 3.49 N ATOM 2177 CZ ARG A 148 -0.245 8.476 15.910 1.00 3.29 C ATOM 2178 NH1 ARG A 148 -0.943 7.489 15.346 1.00 2.36 N ATOM 2179 NH2 ARG A 148 -0.876 9.621 16.187 1.00 4.95 N ATOM 0 H ARG A 148 4.227 8.449 12.515 1.00 0.92 H new ATOM 0 HA ARG A 148 2.791 6.636 12.013 1.00 0.95 H new ATOM 0 HB2 ARG A 148 1.634 9.047 13.467 1.00 1.11 H new ATOM 0 HB3 ARG A 148 0.813 7.499 13.464 1.00 1.11 H new ATOM 0 HG2 ARG A 148 3.203 6.568 14.205 1.00 2.32 H new ATOM 0 HG3 ARG A 148 3.481 8.228 14.692 1.00 2.32 H new ATOM 0 HD2 ARG A 148 1.333 6.330 15.713 1.00 2.37 H new ATOM 0 HD3 ARG A 148 2.648 7.045 16.624 1.00 2.37 H new ATOM 0 HE ARG A 148 1.501 9.128 16.701 1.00 3.49 H new ATOM 0 HH11 ARG A 148 -0.483 6.610 15.110 1.00 2.36 H new ATOM 0 HH12 ARG A 148 -1.936 7.614 15.151 1.00 2.36 H new ATOM 0 HH21 ARG A 148 -0.363 10.398 16.605 1.00 4.95 H new ATOM 0 HH22 ARG A 148 -1.870 9.718 15.981 1.00 4.95 H new ATOM 2193 N HIS A 149 0.355 8.505 10.938 1.00 0.57 N ATOM 2194 CA HIS A 149 -0.730 8.477 9.973 1.00 0.78 C ATOM 2195 C HIS A 149 -0.171 8.828 8.592 1.00 0.73 C ATOM 2196 O HIS A 149 0.183 9.985 8.360 1.00 0.88 O ATOM 2197 CB HIS A 149 -1.847 9.456 10.368 1.00 1.00 C ATOM 2198 CG HIS A 149 -2.381 9.339 11.776 1.00 0.98 C ATOM 2199 ND1 HIS A 149 -3.047 10.337 12.449 1.00 1.82 N ATOM 2200 CD2 HIS A 149 -2.302 8.258 12.613 1.00 1.43 C ATOM 2201 CE1 HIS A 149 -3.353 9.871 13.671 1.00 1.69 C ATOM 2202 NE2 HIS A 149 -2.898 8.616 13.833 1.00 1.05 N ATOM 0 H HIS A 149 0.294 9.258 11.624 1.00 0.57 H new ATOM 0 HA HIS A 149 -1.165 7.478 9.951 1.00 0.78 H new ATOM 0 HB2 HIS A 149 -1.476 10.471 10.227 1.00 1.00 H new ATOM 0 HB3 HIS A 149 -2.678 9.322 9.676 1.00 1.00 H new ATOM 0 HD1 HIS A 149 -3.269 11.264 12.085 1.00 1.82 H new ATOM 0 HD2 HIS A 149 -1.860 7.301 12.377 1.00 1.43 H new ATOM 0 HE1 HIS A 149 -3.892 10.429 14.422 1.00 1.69 H new ATOM 2210 N ILE A 150 -0.108 7.857 7.680 1.00 0.66 N ATOM 2211 CA ILE A 150 0.210 8.101 6.281 1.00 0.58 C ATOM 2212 C ILE A 150 -1.053 7.862 5.456 1.00 0.66 C ATOM 2213 O ILE A 150 -1.651 6.783 5.515 1.00 0.83 O ATOM 2214 CB ILE A 150 1.402 7.242 5.828 1.00 0.63 C ATOM 2215 CG1 ILE A 150 2.640 7.543 6.696 1.00 0.89 C ATOM 2216 CG2 ILE A 150 1.704 7.479 4.344 1.00 1.15 C ATOM 2217 CD1 ILE A 150 3.969 7.119 6.056 1.00 1.29 C ATOM 0 H ILE A 150 -0.278 6.875 7.897 1.00 0.66 H new ATOM 0 HA ILE A 150 0.526 9.134 6.133 1.00 0.58 H new ATOM 0 HB ILE A 150 1.142 6.191 5.956 1.00 0.63 H new ATOM 0 HG12 ILE A 150 2.674 8.612 6.904 1.00 0.89 H new ATOM 0 HG13 ILE A 150 2.531 7.035 7.654 1.00 0.89 H new ATOM 0 HG21 ILE A 150 2.551 6.862 4.042 1.00 1.15 H new ATOM 0 HG22 ILE A 150 0.831 7.213 3.748 1.00 1.15 H new ATOM 0 HG23 ILE A 150 1.946 8.530 4.185 1.00 1.15 H new ATOM 0 HD11 ILE A 150 4.791 7.364 6.728 1.00 1.29 H new ATOM 0 HD12 ILE A 150 3.958 6.045 5.873 1.00 1.29 H new ATOM 0 HD13 ILE A 150 4.103 7.647 5.112 1.00 1.29 H new ATOM 2229 N GLY A 151 -1.453 8.880 4.690 1.00 0.64 N ATOM 2230 CA GLY A 151 -2.585 8.832 3.791 1.00 0.74 C ATOM 2231 C GLY A 151 -2.161 8.122 2.512 1.00 0.69 C ATOM 2232 O GLY A 151 -1.355 8.638 1.736 1.00 0.85 O ATOM 0 H GLY A 151 -0.977 9.782 4.686 1.00 0.64 H new ATOM 0 HA2 GLY A 151 -3.417 8.305 4.258 1.00 0.74 H new ATOM 0 HA3 GLY A 151 -2.933 9.840 3.566 1.00 0.74 H new ATOM 2236 N LEU A 152 -2.699 6.925 2.285 1.00 0.75 N ATOM 2237 CA LEU A 152 -2.372 6.109 1.127 1.00 0.96 C ATOM 2238 C LEU A 152 -3.169 6.651 -0.066 1.00 0.67 C ATOM 2239 O LEU A 152 -4.093 6.010 -0.562 1.00 1.12 O ATOM 2240 CB LEU A 152 -2.687 4.648 1.486 1.00 1.38 C ATOM 2241 CG LEU A 152 -1.945 3.536 0.737 1.00 1.05 C ATOM 2242 CD1 LEU A 152 -2.282 3.512 -0.753 1.00 0.92 C ATOM 2243 CD2 LEU A 152 -0.432 3.579 0.941 1.00 1.03 C ATOM 0 H LEU A 152 -3.381 6.494 2.909 1.00 0.75 H new ATOM 0 HA LEU A 152 -1.319 6.149 0.847 1.00 0.96 H new ATOM 0 HB2 LEU A 152 -2.492 4.518 2.551 1.00 1.38 H new ATOM 0 HB3 LEU A 152 -3.756 4.493 1.337 1.00 1.38 H new ATOM 0 HG LEU A 152 -2.305 2.608 1.181 1.00 1.05 H new ATOM 0 HD11 LEU A 152 -1.731 2.706 -1.238 1.00 0.92 H new ATOM 0 HD12 LEU A 152 -3.352 3.348 -0.881 1.00 0.92 H new ATOM 0 HD13 LEU A 152 -2.004 4.465 -1.204 1.00 0.92 H new ATOM 0 HD21 LEU A 152 0.033 2.766 0.384 1.00 1.03 H new ATOM 0 HD22 LEU A 152 -0.044 4.532 0.583 1.00 1.03 H new ATOM 0 HD23 LEU A 152 -0.205 3.470 2.001 1.00 1.03 H new ATOM 2255 N ALA A 153 -2.838 7.868 -0.507 1.00 0.89 N ATOM 2256 CA ALA A 153 -3.483 8.478 -1.659 1.00 1.08 C ATOM 2257 C ALA A 153 -2.870 7.883 -2.922 1.00 0.93 C ATOM 2258 O ALA A 153 -1.653 7.707 -2.995 1.00 0.96 O ATOM 2259 CB ALA A 153 -3.311 9.998 -1.629 1.00 1.50 C ATOM 0 H ALA A 153 -2.120 8.449 -0.075 1.00 0.89 H new ATOM 0 HA ALA A 153 -4.553 8.273 -1.640 1.00 1.08 H new ATOM 0 HB1 ALA A 153 -3.800 10.437 -2.499 1.00 1.50 H new ATOM 0 HB2 ALA A 153 -3.761 10.397 -0.720 1.00 1.50 H new ATOM 0 HB3 ALA A 153 -2.249 10.244 -1.647 1.00 1.50 H new ATOM 2265 N ALA A 154 -3.700 7.561 -3.915 1.00 1.02 N ATOM 2266 CA ALA A 154 -3.246 6.904 -5.123 1.00 0.94 C ATOM 2267 C ALA A 154 -4.102 7.311 -6.307 1.00 0.89 C ATOM 2268 O ALA A 154 -5.241 7.740 -6.125 1.00 1.08 O ATOM 2269 CB ALA A 154 -3.267 5.393 -4.923 1.00 1.32 C ATOM 0 H ALA A 154 -4.702 7.751 -3.897 1.00 1.02 H new ATOM 0 HA ALA A 154 -2.222 7.213 -5.335 1.00 0.94 H new ATOM 0 HB1 ALA A 154 -2.925 4.901 -5.833 1.00 1.32 H new ATOM 0 HB2 ALA A 154 -2.608 5.126 -4.097 1.00 1.32 H new ATOM 0 HB3 ALA A 154 -4.283 5.070 -4.696 1.00 1.32 H new ATOM 2275 N LYS A 155 -3.531 7.209 -7.508 1.00 0.91 N ATOM 2276 CA LYS A 155 -4.199 7.602 -8.731 1.00 0.98 C ATOM 2277 C LYS A 155 -3.561 6.853 -9.893 1.00 1.09 C ATOM 2278 O LYS A 155 -2.335 6.795 -9.978 1.00 1.52 O ATOM 2279 CB LYS A 155 -4.058 9.115 -8.928 1.00 1.45 C ATOM 2280 CG LYS A 155 -4.908 9.600 -10.110 1.00 1.49 C ATOM 2281 CD LYS A 155 -6.205 10.288 -9.654 1.00 1.72 C ATOM 2282 CE LYS A 155 -7.137 9.351 -8.867 1.00 3.14 C ATOM 2283 NZ LYS A 155 -8.406 10.012 -8.496 1.00 3.64 N ATOM 0 H LYS A 155 -2.588 6.849 -7.651 1.00 0.91 H new ATOM 0 HA LYS A 155 -5.260 7.358 -8.680 1.00 0.98 H new ATOM 0 HB2 LYS A 155 -4.364 9.633 -8.019 1.00 1.45 H new ATOM 0 HB3 LYS A 155 -3.012 9.366 -9.101 1.00 1.45 H new ATOM 0 HG2 LYS A 155 -4.324 10.295 -10.713 1.00 1.49 H new ATOM 0 HG3 LYS A 155 -5.155 8.752 -10.749 1.00 1.49 H new ATOM 0 HD2 LYS A 155 -5.955 11.148 -9.033 1.00 1.72 H new ATOM 0 HD3 LYS A 155 -6.734 10.669 -10.527 1.00 1.72 H new ATOM 0 HE2 LYS A 155 -7.351 8.466 -9.467 1.00 3.14 H new ATOM 0 HE3 LYS A 155 -6.629 9.009 -7.965 1.00 3.14 H new ATOM 0 HZ1 LYS A 155 -8.913 9.426 -7.802 1.00 3.64 H new ATOM 0 HZ2 LYS A 155 -8.204 10.944 -8.080 1.00 3.64 H new ATOM 0 HZ3 LYS A 155 -8.996 10.132 -9.344 1.00 3.64 H new ATOM 2297 N GLN A 156 -4.381 6.313 -10.789 1.00 1.07 N ATOM 2298 CA GLN A 156 -3.968 5.593 -11.965 1.00 1.35 C ATOM 2299 C GLN A 156 -5.192 5.563 -12.882 1.00 2.40 C ATOM 2300 O GLN A 156 -5.027 5.195 -14.063 1.00 3.07 O ATOM 2301 CB GLN A 156 -3.531 4.206 -11.503 1.00 2.04 C ATOM 2302 CG GLN A 156 -4.728 3.438 -10.929 1.00 2.17 C ATOM 2303 CD GLN A 156 -4.385 2.453 -9.812 1.00 3.02 C ATOM 2304 OE1 GLN A 156 -4.364 1.236 -9.987 1.00 4.24 O ATOM 2305 NE2 GLN A 156 -4.150 2.978 -8.612 1.00 3.36 N ATOM 0 H GLN A 156 -5.395 6.374 -10.701 1.00 1.07 H new ATOM 0 HA GLN A 156 -3.134 6.039 -12.507 1.00 1.35 H new ATOM 0 HB2 GLN A 156 -3.103 3.654 -12.340 1.00 2.04 H new ATOM 0 HB3 GLN A 156 -2.751 4.295 -10.747 1.00 2.04 H new ATOM 0 HG2 GLN A 156 -5.454 4.157 -10.549 1.00 2.17 H new ATOM 0 HG3 GLN A 156 -5.213 2.892 -11.738 1.00 2.17 H new ATOM 0 HE21 GLN A 156 -4.171 3.990 -8.485 1.00 3.36 H new ATOM 0 HE22 GLN A 156 -3.948 2.369 -7.819 1.00 3.36 H new