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 116 ASN : amide:sc= 1.2 K(o=0.81,f=-1.4) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.394 K(o=0.81,f=-3.1!) USER MOD Set 2.1: A 86 LYS NZ :NH3+ 170:sc= 1.86 (180deg=0.459) USER MOD Set 2.2: A 87 SER OG : rot -100:sc= 1.06 USER MOD Single : A 39 HIS : no HE2:sc= 0.549 K(o=0.55,f=-2.7!) USER MOD Single : A 40 THR OG1 : rot -159:sc= 0.372 USER MOD Single : A 41 SER OG : rot 26:sc= 1.27 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 86:sc= 0.0468 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -46:sc= 0.489 USER MOD Single : A 60 SER OG : rot 180:sc= 0.116 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 2.04 (180deg=2.04) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0697 USER MOD Single : A 76 LYS NZ :NH3+ -112:sc= -2.86! (180deg=-4.63!) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.148 F(o=-2.6,f=-0.15) USER MOD Single : A 79 ASN : amide:sc= 0.047 K(o=0.047,f=-5.9!) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0.599 (180deg=0.326) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -2.35 F(o=-4!,f=-2.4) USER MOD Single : A 91 ASN : amide:sc= -0.291 K(o=-0.29,f=-4!) USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= 2.12 (180deg=0.0857) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -0.392 K(o=-0.39,f=-4.6!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 29:sc= 0.971 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -69:sc= 1.28 USER MOD Single : A 123 TYR OH : rot -26:sc= 1.24 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.662 F(o=-2.1,f=-0.66) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -163:sc= -0.758 (180deg=-2.42!) USER MOD Single : A 143 THR OG1 : rot -71:sc= 0.373 USER MOD Single : A 145 ASN : amide:sc= -0.0837 X(o=-0.084,f=-0.00027) USER MOD Single : A 149 HIS : no HE2:sc= 1.17 K(o=1.2,f=-11!) USER MOD Single : A 155 LYS NZ :NH3+ 151:sc= -2.31! (180deg=-3.54!) USER MOD Single : A 156 GLN : amide:sc= -1.26! C(o=-1.3!,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -10.090 -16.763 -4.687 1.00 3.23 N ATOM 561 CA GLY A 37 -9.984 -15.319 -4.563 1.00 2.69 C ATOM 562 C GLY A 37 -11.356 -14.713 -4.858 1.00 2.37 C ATOM 563 O GLY A 37 -11.851 -13.866 -4.117 1.00 2.80 O ATOM 0 HA2 GLY A 37 -9.656 -15.047 -3.560 1.00 2.69 H new ATOM 0 HA3 GLY A 37 -9.240 -14.931 -5.258 1.00 2.69 H new ATOM 567 N GLU A 38 -11.954 -15.136 -5.972 1.00 2.34 N ATOM 568 CA GLU A 38 -13.251 -14.702 -6.464 1.00 2.19 C ATOM 569 C GLU A 38 -13.380 -13.175 -6.507 1.00 1.73 C ATOM 570 O GLU A 38 -12.962 -12.559 -7.483 1.00 1.50 O ATOM 571 CB GLU A 38 -14.413 -15.396 -5.727 1.00 2.68 C ATOM 572 CG GLU A 38 -14.154 -16.881 -5.436 1.00 3.16 C ATOM 573 CD GLU A 38 -13.710 -17.096 -3.996 1.00 3.49 C ATOM 574 OE1 GLU A 38 -12.530 -17.467 -3.812 1.00 4.55 O ATOM 575 OE2 GLU A 38 -14.559 -16.858 -3.108 1.00 3.57 O ATOM 0 H GLU A 38 -11.519 -15.827 -6.584 1.00 2.34 H new ATOM 0 HA GLU A 38 -13.322 -15.027 -7.502 1.00 2.19 H new ATOM 0 HB2 GLU A 38 -14.598 -14.877 -4.787 1.00 2.68 H new ATOM 0 HB3 GLU A 38 -15.319 -15.304 -6.326 1.00 2.68 H new ATOM 0 HG2 GLU A 38 -15.061 -17.454 -5.628 1.00 3.16 H new ATOM 0 HG3 GLU A 38 -13.389 -17.258 -6.114 1.00 3.16 H new ATOM 582 N HIS A 39 -13.952 -12.554 -5.467 1.00 1.81 N ATOM 583 CA HIS A 39 -14.369 -11.166 -5.441 1.00 1.64 C ATOM 584 C HIS A 39 -13.205 -10.256 -5.831 1.00 1.49 C ATOM 585 O HIS A 39 -13.350 -9.398 -6.702 1.00 1.55 O ATOM 586 CB HIS A 39 -14.935 -10.873 -4.045 1.00 2.04 C ATOM 587 CG HIS A 39 -16.170 -11.678 -3.693 1.00 2.86 C ATOM 588 ND1 HIS A 39 -16.708 -11.804 -2.434 1.00 3.23 N ATOM 589 CD2 HIS A 39 -16.980 -12.389 -4.547 1.00 4.21 C ATOM 590 CE1 HIS A 39 -17.806 -12.565 -2.526 1.00 4.15 C ATOM 591 NE2 HIS A 39 -18.019 -12.954 -3.794 1.00 4.79 N ATOM 0 H HIS A 39 -14.140 -13.036 -4.588 1.00 1.81 H new ATOM 0 HA HIS A 39 -15.152 -10.969 -6.173 1.00 1.64 H new ATOM 0 HB2 HIS A 39 -14.162 -11.072 -3.303 1.00 2.04 H new ATOM 0 HB3 HIS A 39 -15.176 -9.812 -3.978 1.00 2.04 H new ATOM 0 HD1 HIS A 39 -16.336 -11.390 -1.579 1.00 3.23 H new ATOM 0 HD2 HIS A 39 -16.840 -12.494 -5.613 1.00 4.21 H new ATOM 0 HE1 HIS A 39 -18.437 -12.831 -1.691 1.00 4.15 H new ATOM 599 N THR A 40 -12.044 -10.478 -5.203 1.00 1.61 N ATOM 600 CA THR A 40 -10.827 -9.716 -5.459 1.00 1.80 C ATOM 601 C THR A 40 -10.608 -9.522 -6.965 1.00 1.44 C ATOM 602 O THR A 40 -10.514 -8.385 -7.427 1.00 1.75 O ATOM 603 CB THR A 40 -9.605 -10.297 -4.705 1.00 2.25 C ATOM 604 OG1 THR A 40 -8.409 -10.033 -5.403 1.00 2.73 O ATOM 605 CG2 THR A 40 -9.658 -11.801 -4.444 1.00 3.61 C ATOM 0 H THR A 40 -11.927 -11.202 -4.495 1.00 1.61 H new ATOM 0 HA THR A 40 -10.953 -8.716 -5.045 1.00 1.80 H new ATOM 0 HB THR A 40 -9.635 -9.794 -3.739 1.00 2.25 H new ATOM 0 HG1 THR A 40 -7.716 -10.664 -5.115 1.00 2.73 H new ATOM 0 HG21 THR A 40 -8.758 -12.110 -3.912 1.00 3.61 H new ATOM 0 HG22 THR A 40 -10.535 -12.035 -3.840 1.00 3.61 H new ATOM 0 HG23 THR A 40 -9.719 -12.333 -5.393 1.00 3.61 H new ATOM 613 N SER A 41 -10.538 -10.611 -7.724 1.00 1.10 N ATOM 614 CA SER A 41 -10.366 -10.581 -9.174 1.00 0.96 C ATOM 615 C SER A 41 -11.635 -10.089 -9.887 1.00 1.03 C ATOM 616 O SER A 41 -11.573 -9.204 -10.742 1.00 1.26 O ATOM 617 CB SER A 41 -9.927 -11.969 -9.654 1.00 1.13 C ATOM 618 OG SER A 41 -9.659 -11.990 -11.042 1.00 2.45 O ATOM 0 H SER A 41 -10.600 -11.555 -7.343 1.00 1.10 H new ATOM 0 HA SER A 41 -9.587 -9.863 -9.430 1.00 0.96 H new ATOM 0 HB2 SER A 41 -9.035 -12.276 -9.108 1.00 1.13 H new ATOM 0 HB3 SER A 41 -10.707 -12.695 -9.424 1.00 1.13 H new ATOM 0 HG SER A 41 -9.404 -11.092 -11.340 1.00 2.45 H new ATOM 624 N PHE A 42 -12.779 -10.684 -9.531 1.00 1.08 N ATOM 625 CA PHE A 42 -14.089 -10.538 -10.164 1.00 1.30 C ATOM 626 C PHE A 42 -14.460 -9.086 -10.475 1.00 1.37 C ATOM 627 O PHE A 42 -15.010 -8.815 -11.540 1.00 1.60 O ATOM 628 CB PHE A 42 -15.153 -11.193 -9.277 1.00 1.54 C ATOM 629 CG PHE A 42 -16.575 -11.001 -9.762 1.00 1.80 C ATOM 630 CD1 PHE A 42 -17.113 -11.868 -10.731 1.00 3.01 C ATOM 631 CD2 PHE A 42 -17.323 -9.897 -9.315 1.00 2.05 C ATOM 632 CE1 PHE A 42 -18.388 -11.617 -11.266 1.00 3.38 C ATOM 633 CE2 PHE A 42 -18.588 -9.636 -9.864 1.00 2.30 C ATOM 634 CZ PHE A 42 -19.118 -10.491 -10.847 1.00 2.60 C ATOM 0 H PHE A 42 -12.813 -11.324 -8.738 1.00 1.08 H new ATOM 0 HA PHE A 42 -14.040 -11.041 -11.130 1.00 1.30 H new ATOM 0 HB2 PHE A 42 -14.946 -12.261 -9.210 1.00 1.54 H new ATOM 0 HB3 PHE A 42 -15.068 -10.788 -8.269 1.00 1.54 H new ATOM 0 HD1 PHE A 42 -16.547 -12.725 -11.063 1.00 3.01 H new ATOM 0 HD2 PHE A 42 -16.924 -9.249 -8.549 1.00 2.05 H new ATOM 0 HE1 PHE A 42 -18.807 -12.290 -12.000 1.00 3.38 H new ATOM 0 HE2 PHE A 42 -19.154 -8.779 -9.532 1.00 2.30 H new ATOM 0 HZ PHE A 42 -20.085 -10.283 -11.280 1.00 2.60 H new ATOM 644 N ASP A 43 -14.159 -8.154 -9.564 1.00 1.36 N ATOM 645 CA ASP A 43 -14.402 -6.719 -9.756 1.00 1.69 C ATOM 646 C ASP A 43 -13.826 -6.167 -11.068 1.00 1.92 C ATOM 647 O ASP A 43 -14.299 -5.139 -11.545 1.00 2.67 O ATOM 648 CB ASP A 43 -13.874 -5.976 -8.533 1.00 1.86 C ATOM 649 CG ASP A 43 -13.982 -4.454 -8.602 1.00 2.12 C ATOM 650 OD1 ASP A 43 -12.922 -3.802 -8.687 1.00 3.41 O ATOM 651 OD2 ASP A 43 -15.099 -3.927 -8.400 1.00 2.43 O ATOM 0 H ASP A 43 -13.735 -8.377 -8.663 1.00 1.36 H new ATOM 0 HA ASP A 43 -15.476 -6.560 -9.851 1.00 1.69 H new ATOM 0 HB2 ASP A 43 -14.417 -6.324 -7.654 1.00 1.86 H new ATOM 0 HB3 ASP A 43 -12.827 -6.244 -8.388 1.00 1.86 H new ATOM 656 N LYS A 44 -12.856 -6.884 -11.653 1.00 1.48 N ATOM 657 CA LYS A 44 -12.311 -6.810 -13.008 1.00 1.61 C ATOM 658 C LYS A 44 -10.842 -6.433 -12.932 1.00 1.76 C ATOM 659 O LYS A 44 -10.406 -5.420 -13.478 1.00 2.16 O ATOM 660 CB LYS A 44 -13.133 -5.978 -14.005 1.00 1.71 C ATOM 661 CG LYS A 44 -14.466 -6.695 -14.273 1.00 2.07 C ATOM 662 CD LYS A 44 -15.660 -5.751 -14.421 1.00 2.30 C ATOM 663 CE LYS A 44 -15.484 -4.795 -15.605 1.00 2.95 C ATOM 664 NZ LYS A 44 -16.663 -3.922 -15.765 1.00 3.50 N ATOM 0 H LYS A 44 -12.382 -7.614 -11.121 1.00 1.48 H new ATOM 0 HA LYS A 44 -12.391 -7.804 -13.449 1.00 1.61 H new ATOM 0 HB2 LYS A 44 -13.315 -4.981 -13.604 1.00 1.71 H new ATOM 0 HB3 LYS A 44 -12.580 -5.851 -14.936 1.00 1.71 H new ATOM 0 HG2 LYS A 44 -14.371 -7.290 -15.182 1.00 2.07 H new ATOM 0 HG3 LYS A 44 -14.664 -7.390 -13.457 1.00 2.07 H new ATOM 0 HD2 LYS A 44 -16.570 -6.335 -14.557 1.00 2.30 H new ATOM 0 HD3 LYS A 44 -15.784 -5.175 -13.504 1.00 2.30 H new ATOM 0 HE2 LYS A 44 -14.594 -4.184 -15.454 1.00 2.95 H new ATOM 0 HE3 LYS A 44 -15.326 -5.368 -16.518 1.00 2.95 H new ATOM 0 HZ1 LYS A 44 -16.516 -3.285 -16.574 1.00 3.50 H new ATOM 0 HZ2 LYS A 44 -17.507 -4.506 -15.933 1.00 3.50 H new ATOM 0 HZ3 LYS A 44 -16.798 -3.359 -14.901 1.00 3.50 H new ATOM 678 N LEU A 45 -10.090 -7.300 -12.251 1.00 1.61 N ATOM 679 CA LEU A 45 -8.642 -7.289 -12.208 1.00 1.72 C ATOM 680 C LEU A 45 -8.188 -8.688 -12.638 1.00 1.62 C ATOM 681 O LEU A 45 -8.594 -9.664 -12.010 1.00 2.17 O ATOM 682 CB LEU A 45 -8.140 -6.922 -10.809 1.00 1.91 C ATOM 683 CG LEU A 45 -8.708 -5.569 -10.345 1.00 1.78 C ATOM 684 CD1 LEU A 45 -10.061 -5.716 -9.626 1.00 1.53 C ATOM 685 CD2 LEU A 45 -7.676 -4.833 -9.485 1.00 2.86 C ATOM 0 H LEU A 45 -10.496 -8.054 -11.697 1.00 1.61 H new ATOM 0 HA LEU A 45 -8.226 -6.535 -12.876 1.00 1.72 H new ATOM 0 HB2 LEU A 45 -8.427 -7.700 -10.102 1.00 1.91 H new ATOM 0 HB3 LEU A 45 -7.051 -6.879 -10.811 1.00 1.91 H new ATOM 0 HG LEU A 45 -8.908 -4.967 -11.231 1.00 1.78 H new ATOM 0 HD11 LEU A 45 -10.418 -4.733 -9.319 1.00 1.53 H new ATOM 0 HD12 LEU A 45 -10.785 -6.170 -10.302 1.00 1.53 H new ATOM 0 HD13 LEU A 45 -9.939 -6.349 -8.747 1.00 1.53 H new ATOM 0 HD21 LEU A 45 -8.087 -3.877 -9.162 1.00 2.86 H new ATOM 0 HD22 LEU A 45 -7.433 -5.438 -8.611 1.00 2.86 H new ATOM 0 HD23 LEU A 45 -6.772 -4.660 -10.069 1.00 2.86 H new ATOM 697 N PRO A 46 -7.433 -8.810 -13.739 1.00 1.27 N ATOM 698 CA PRO A 46 -7.225 -10.076 -14.428 1.00 1.26 C ATOM 699 C PRO A 46 -6.249 -11.004 -13.707 1.00 1.34 C ATOM 700 O PRO A 46 -5.709 -10.674 -12.654 1.00 1.60 O ATOM 701 CB PRO A 46 -6.660 -9.675 -15.797 1.00 1.62 C ATOM 702 CG PRO A 46 -5.959 -8.346 -15.535 1.00 1.83 C ATOM 703 CD PRO A 46 -6.880 -7.705 -14.504 1.00 1.59 C ATOM 0 HA PRO A 46 -8.156 -10.640 -14.485 1.00 1.26 H new ATOM 0 HB2 PRO A 46 -5.965 -10.424 -16.177 1.00 1.62 H new ATOM 0 HB3 PRO A 46 -7.451 -9.569 -16.539 1.00 1.62 H new ATOM 0 HG2 PRO A 46 -4.949 -8.486 -15.150 1.00 1.83 H new ATOM 0 HG3 PRO A 46 -5.875 -7.743 -16.439 1.00 1.83 H new ATOM 0 HD2 PRO A 46 -6.331 -7.018 -13.860 1.00 1.59 H new ATOM 0 HD3 PRO A 46 -7.669 -7.128 -14.987 1.00 1.59 H new ATOM 711 N GLU A 47 -5.935 -12.128 -14.356 1.00 1.86 N ATOM 712 CA GLU A 47 -4.817 -13.015 -14.050 1.00 2.39 C ATOM 713 C GLU A 47 -3.451 -12.349 -14.328 1.00 2.06 C ATOM 714 O GLU A 47 -2.556 -12.955 -14.912 1.00 2.98 O ATOM 715 CB GLU A 47 -5.008 -14.334 -14.821 1.00 3.31 C ATOM 716 CG GLU A 47 -5.171 -14.164 -16.345 1.00 3.63 C ATOM 717 CD GLU A 47 -5.233 -15.499 -17.073 1.00 4.72 C ATOM 718 OE1 GLU A 47 -5.298 -16.543 -16.394 1.00 5.48 O ATOM 719 OE2 GLU A 47 -5.246 -15.436 -18.323 1.00 5.36 O ATOM 0 H GLU A 47 -6.484 -12.458 -15.150 1.00 1.86 H new ATOM 0 HA GLU A 47 -4.810 -13.233 -12.982 1.00 2.39 H new ATOM 0 HB2 GLU A 47 -4.151 -14.980 -14.629 1.00 3.31 H new ATOM 0 HB3 GLU A 47 -5.887 -14.846 -14.429 1.00 3.31 H new ATOM 0 HG2 GLU A 47 -6.080 -13.599 -16.550 1.00 3.63 H new ATOM 0 HG3 GLU A 47 -4.338 -13.579 -16.734 1.00 3.63 H new ATOM 726 N GLY A 48 -3.281 -11.094 -13.906 1.00 1.34 N ATOM 727 CA GLY A 48 -2.071 -10.310 -14.081 1.00 1.53 C ATOM 728 C GLY A 48 -1.233 -10.321 -12.805 1.00 1.12 C ATOM 729 O GLY A 48 -1.734 -10.633 -11.722 1.00 2.22 O ATOM 0 H GLY A 48 -4.014 -10.583 -13.415 1.00 1.34 H new ATOM 0 HA2 GLY A 48 -1.487 -10.712 -14.909 1.00 1.53 H new ATOM 0 HA3 GLY A 48 -2.331 -9.284 -14.343 1.00 1.53 H new ATOM 733 N GLY A 49 0.047 -9.973 -12.945 1.00 1.09 N ATOM 734 CA GLY A 49 1.042 -10.086 -11.887 1.00 1.35 C ATOM 735 C GLY A 49 1.635 -8.743 -11.467 1.00 1.31 C ATOM 736 O GLY A 49 2.745 -8.708 -10.946 1.00 1.96 O ATOM 0 H GLY A 49 0.425 -9.598 -13.815 1.00 1.09 H new ATOM 0 HA2 GLY A 49 0.586 -10.561 -11.018 1.00 1.35 H new ATOM 0 HA3 GLY A 49 1.846 -10.741 -12.223 1.00 1.35 H new ATOM 740 N ARG A 50 0.961 -7.614 -11.711 1.00 1.13 N ATOM 741 CA ARG A 50 1.350 -6.320 -11.185 1.00 1.13 C ATOM 742 C ARG A 50 0.110 -5.423 -11.200 1.00 1.34 C ATOM 743 O ARG A 50 -0.850 -5.740 -11.897 1.00 1.99 O ATOM 744 CB ARG A 50 2.493 -5.759 -12.052 1.00 0.94 C ATOM 745 CG ARG A 50 3.435 -4.854 -11.258 1.00 2.35 C ATOM 746 CD ARG A 50 4.679 -5.552 -10.681 1.00 3.14 C ATOM 747 NE ARG A 50 4.367 -6.833 -10.022 1.00 3.99 N ATOM 748 CZ ARG A 50 5.171 -7.538 -9.210 1.00 4.97 C ATOM 749 NH1 ARG A 50 6.352 -7.029 -8.841 1.00 5.45 N ATOM 750 NH2 ARG A 50 4.803 -8.744 -8.770 1.00 5.94 N ATOM 0 H ARG A 50 0.120 -7.583 -12.288 1.00 1.13 H new ATOM 0 HA ARG A 50 1.718 -6.383 -10.161 1.00 1.13 H new ATOM 0 HB2 ARG A 50 3.061 -6.586 -12.479 1.00 0.94 H new ATOM 0 HB3 ARG A 50 2.071 -5.198 -12.886 1.00 0.94 H new ATOM 0 HG2 ARG A 50 3.762 -4.039 -11.904 1.00 2.35 H new ATOM 0 HG3 ARG A 50 2.876 -4.405 -10.437 1.00 2.35 H new ATOM 0 HD2 ARG A 50 5.395 -5.728 -11.484 1.00 3.14 H new ATOM 0 HD3 ARG A 50 5.161 -4.888 -9.963 1.00 3.14 H new ATOM 0 HE ARG A 50 3.443 -7.225 -10.202 1.00 3.99 H new ATOM 0 HH11 ARG A 50 6.638 -6.109 -9.176 1.00 5.45 H new ATOM 0 HH12 ARG A 50 6.966 -7.561 -8.224 1.00 5.45 H new ATOM 0 HH21 ARG A 50 3.904 -9.137 -9.051 1.00 5.94 H new ATOM 0 HH22 ARG A 50 5.420 -9.272 -8.153 1.00 5.94 H new ATOM 764 N ALA A 51 0.137 -4.324 -10.437 1.00 1.39 N ATOM 765 CA ALA A 51 -0.954 -3.370 -10.346 1.00 1.51 C ATOM 766 C ALA A 51 -0.957 -2.419 -11.532 1.00 0.69 C ATOM 767 O ALA A 51 -0.151 -2.533 -12.453 1.00 1.44 O ATOM 768 CB ALA A 51 -0.899 -2.587 -9.037 1.00 2.43 C ATOM 0 H ALA A 51 0.938 -4.076 -9.857 1.00 1.39 H new ATOM 0 HA ALA A 51 -1.883 -3.940 -10.364 1.00 1.51 H new ATOM 0 HB1 ALA A 51 -1.729 -1.881 -9.000 1.00 2.43 H new ATOM 0 HB2 ALA A 51 -0.972 -3.277 -8.197 1.00 2.43 H new ATOM 0 HB3 ALA A 51 0.043 -2.042 -8.978 1.00 2.43 H new ATOM 774 N THR A 52 -1.903 -1.481 -11.528 1.00 0.95 N ATOM 775 CA THR A 52 -1.889 -0.370 -12.456 1.00 1.16 C ATOM 776 C THR A 52 -2.290 0.899 -11.702 1.00 1.28 C ATOM 777 O THR A 52 -3.468 1.240 -11.664 1.00 1.81 O ATOM 778 CB THR A 52 -2.845 -0.718 -13.609 1.00 1.98 C ATOM 779 OG1 THR A 52 -2.431 -1.934 -14.205 1.00 4.18 O ATOM 780 CG2 THR A 52 -2.927 0.363 -14.686 1.00 1.31 C ATOM 0 H THR A 52 -2.693 -1.476 -10.883 1.00 0.95 H new ATOM 0 HA THR A 52 -0.902 -0.189 -12.881 1.00 1.16 H new ATOM 0 HB THR A 52 -3.841 -0.805 -13.174 1.00 1.98 H new ATOM 0 HG1 THR A 52 -2.816 -2.688 -13.711 1.00 4.18 H new ATOM 0 HG21 THR A 52 -3.620 0.048 -15.466 1.00 1.31 H new ATOM 0 HG22 THR A 52 -3.280 1.293 -14.241 1.00 1.31 H new ATOM 0 HG23 THR A 52 -1.939 0.520 -15.120 1.00 1.31 H new ATOM 788 N TYR A 53 -1.324 1.570 -11.064 1.00 1.49 N ATOM 789 CA TYR A 53 -1.573 2.795 -10.309 1.00 2.04 C ATOM 790 C TYR A 53 -0.357 3.707 -10.133 1.00 1.86 C ATOM 791 O TYR A 53 0.749 3.381 -10.551 1.00 2.60 O ATOM 792 CB TYR A 53 -2.266 2.491 -8.970 1.00 2.57 C ATOM 793 CG TYR A 53 -1.556 1.594 -7.985 1.00 2.03 C ATOM 794 CD1 TYR A 53 -0.481 2.092 -7.228 1.00 3.49 C ATOM 795 CD2 TYR A 53 -2.157 0.377 -7.617 1.00 2.02 C ATOM 796 CE1 TYR A 53 0.045 1.329 -6.176 1.00 4.44 C ATOM 797 CE2 TYR A 53 -1.638 -0.378 -6.555 1.00 2.54 C ATOM 798 CZ TYR A 53 -0.513 0.083 -5.851 1.00 3.77 C ATOM 799 OH TYR A 53 0.099 -0.721 -4.936 1.00 5.11 O ATOM 0 H TYR A 53 -0.348 1.275 -11.059 1.00 1.49 H new ATOM 0 HA TYR A 53 -2.254 3.378 -10.929 1.00 2.04 H new ATOM 0 HB2 TYR A 53 -2.461 3.441 -8.473 1.00 2.57 H new ATOM 0 HB3 TYR A 53 -3.234 2.042 -9.191 1.00 2.57 H new ATOM 0 HD1 TYR A 53 -0.061 3.060 -7.456 1.00 3.49 H new ATOM 0 HD2 TYR A 53 -3.023 0.022 -8.155 1.00 2.02 H new ATOM 0 HE1 TYR A 53 0.886 1.703 -5.611 1.00 4.44 H new ATOM 0 HE2 TYR A 53 -2.103 -1.313 -6.279 1.00 2.54 H new ATOM 0 HH TYR A 53 -0.419 -1.546 -4.827 1.00 5.11 H new ATOM 809 N ARG A 54 -0.581 4.867 -9.512 1.00 1.32 N ATOM 810 CA ARG A 54 0.408 5.824 -9.048 1.00 1.12 C ATOM 811 C ARG A 54 -0.156 6.425 -7.760 1.00 0.95 C ATOM 812 O ARG A 54 -1.156 7.139 -7.829 1.00 1.14 O ATOM 813 CB ARG A 54 0.591 6.928 -10.100 1.00 1.46 C ATOM 814 CG ARG A 54 1.048 6.340 -11.442 1.00 1.55 C ATOM 815 CD ARG A 54 1.518 7.415 -12.426 1.00 2.20 C ATOM 816 NE ARG A 54 0.582 8.553 -12.533 1.00 3.72 N ATOM 817 CZ ARG A 54 -0.668 8.517 -13.035 1.00 4.82 C ATOM 818 NH1 ARG A 54 -1.177 7.401 -13.554 1.00 5.27 N ATOM 819 NH2 ARG A 54 -1.444 9.601 -13.022 1.00 6.39 N ATOM 0 H ARG A 54 -1.531 5.179 -9.309 1.00 1.32 H new ATOM 0 HA ARG A 54 1.376 5.353 -8.879 1.00 1.12 H new ATOM 0 HB2 ARG A 54 -0.348 7.465 -10.235 1.00 1.46 H new ATOM 0 HB3 ARG A 54 1.325 7.653 -9.748 1.00 1.46 H new ATOM 0 HG2 ARG A 54 1.859 5.633 -11.267 1.00 1.55 H new ATOM 0 HG3 ARG A 54 0.226 5.779 -11.887 1.00 1.55 H new ATOM 0 HD2 ARG A 54 2.495 7.784 -12.112 1.00 2.20 H new ATOM 0 HD3 ARG A 54 1.648 6.966 -13.411 1.00 2.20 H new ATOM 0 HE ARG A 54 0.915 9.455 -12.193 1.00 3.72 H new ATOM 0 HH11 ARG A 54 -0.618 6.548 -13.578 1.00 5.27 H new ATOM 0 HH12 ARG A 54 -2.126 7.399 -13.928 1.00 5.27 H new ATOM 0 HH21 ARG A 54 -1.094 10.474 -12.628 1.00 6.39 H new ATOM 0 HH22 ARG A 54 -2.388 9.557 -13.406 1.00 6.39 H new ATOM 833 N GLY A 55 0.425 6.114 -6.597 1.00 0.84 N ATOM 834 CA GLY A 55 -0.109 6.569 -5.322 1.00 0.87 C ATOM 835 C GLY A 55 0.858 7.471 -4.573 1.00 0.78 C ATOM 836 O GLY A 55 2.072 7.402 -4.754 1.00 0.82 O ATOM 0 H GLY A 55 1.269 5.546 -6.519 1.00 0.84 H new ATOM 0 HA2 GLY A 55 -1.042 7.106 -5.494 1.00 0.87 H new ATOM 0 HA3 GLY A 55 -0.348 5.704 -4.703 1.00 0.87 H new ATOM 840 N THR A 56 0.296 8.302 -3.701 1.00 0.84 N ATOM 841 CA THR A 56 1.004 9.118 -2.735 1.00 0.98 C ATOM 842 C THR A 56 0.787 8.473 -1.368 1.00 0.70 C ATOM 843 O THR A 56 -0.313 7.993 -1.096 1.00 0.77 O ATOM 844 CB THR A 56 0.464 10.555 -2.781 1.00 1.41 C ATOM 845 OG1 THR A 56 -0.930 10.603 -2.540 1.00 2.74 O ATOM 846 CG2 THR A 56 0.762 11.198 -4.138 1.00 1.90 C ATOM 0 H THR A 56 -0.715 8.427 -3.651 1.00 0.84 H new ATOM 0 HA THR A 56 2.071 9.172 -2.951 1.00 0.98 H new ATOM 0 HB THR A 56 0.969 11.110 -1.991 1.00 1.41 H new ATOM 0 HG1 THR A 56 -1.378 9.911 -3.070 1.00 2.74 H new ATOM 0 HG21 THR A 56 0.372 12.216 -4.152 1.00 1.90 H new ATOM 0 HG22 THR A 56 1.839 11.220 -4.301 1.00 1.90 H new ATOM 0 HG23 THR A 56 0.287 10.617 -4.928 1.00 1.90 H new ATOM 854 N ALA A 57 1.829 8.430 -0.532 1.00 0.80 N ATOM 855 CA ALA A 57 1.728 7.999 0.853 1.00 0.69 C ATOM 856 C ALA A 57 2.240 9.154 1.700 1.00 0.73 C ATOM 857 O ALA A 57 3.341 9.095 2.242 1.00 0.96 O ATOM 858 CB ALA A 57 2.531 6.716 1.055 1.00 0.71 C ATOM 0 H ALA A 57 2.774 8.698 -0.808 1.00 0.80 H new ATOM 0 HA ALA A 57 0.704 7.762 1.142 1.00 0.69 H new ATOM 0 HB1 ALA A 57 2.452 6.397 2.094 1.00 0.71 H new ATOM 0 HB2 ALA A 57 2.138 5.934 0.405 1.00 0.71 H new ATOM 0 HB3 ALA A 57 3.577 6.899 0.810 1.00 0.71 H new ATOM 864 N PHE A 58 1.462 10.234 1.747 1.00 0.68 N ATOM 865 CA PHE A 58 1.929 11.505 2.277 1.00 0.72 C ATOM 866 C PHE A 58 1.901 11.477 3.792 1.00 0.66 C ATOM 867 O PHE A 58 0.977 10.948 4.405 1.00 0.62 O ATOM 868 CB PHE A 58 1.161 12.690 1.684 1.00 0.87 C ATOM 869 CG PHE A 58 -0.292 12.793 2.094 1.00 0.89 C ATOM 870 CD1 PHE A 58 -1.306 12.178 1.336 1.00 1.84 C ATOM 871 CD2 PHE A 58 -0.626 13.505 3.258 1.00 1.97 C ATOM 872 CE1 PHE A 58 -2.644 12.252 1.764 1.00 1.99 C ATOM 873 CE2 PHE A 58 -1.953 13.549 3.706 1.00 2.03 C ATOM 874 CZ PHE A 58 -2.968 12.935 2.952 1.00 1.26 C ATOM 0 H PHE A 58 0.496 10.249 1.420 1.00 0.68 H new ATOM 0 HA PHE A 58 2.965 11.651 1.972 1.00 0.72 H new ATOM 0 HB2 PHE A 58 1.668 13.611 1.972 1.00 0.87 H new ATOM 0 HB3 PHE A 58 1.210 12.626 0.597 1.00 0.87 H new ATOM 0 HD1 PHE A 58 -1.057 11.650 0.427 1.00 1.84 H new ATOM 0 HD2 PHE A 58 0.145 14.022 3.811 1.00 1.97 H new ATOM 0 HE1 PHE A 58 -3.424 11.784 1.181 1.00 1.99 H new ATOM 0 HE2 PHE A 58 -2.196 14.054 4.629 1.00 2.03 H new ATOM 0 HZ PHE A 58 -3.995 12.987 3.283 1.00 1.26 H new ATOM 884 N GLY A 59 2.933 12.055 4.395 1.00 0.78 N ATOM 885 CA GLY A 59 3.032 12.124 5.839 1.00 0.89 C ATOM 886 C GLY A 59 2.089 13.208 6.348 1.00 0.95 C ATOM 887 O GLY A 59 1.762 14.137 5.612 1.00 1.00 O ATOM 0 H GLY A 59 3.715 12.483 3.899 1.00 0.78 H new ATOM 0 HA2 GLY A 59 2.773 11.162 6.281 1.00 0.89 H new ATOM 0 HA3 GLY A 59 4.057 12.346 6.136 1.00 0.89 H new ATOM 891 N SER A 60 1.684 13.143 7.618 1.00 1.04 N ATOM 892 CA SER A 60 0.932 14.225 8.239 1.00 1.18 C ATOM 893 C SER A 60 1.640 15.570 8.047 1.00 1.34 C ATOM 894 O SER A 60 0.979 16.598 7.931 1.00 1.55 O ATOM 895 CB SER A 60 0.712 13.905 9.722 1.00 1.30 C ATOM 896 OG SER A 60 1.725 13.037 10.216 1.00 2.26 O ATOM 0 H SER A 60 1.866 12.350 8.233 1.00 1.04 H new ATOM 0 HA SER A 60 -0.041 14.311 7.755 1.00 1.18 H new ATOM 0 HB2 SER A 60 0.708 14.829 10.300 1.00 1.30 H new ATOM 0 HB3 SER A 60 -0.265 13.441 9.856 1.00 1.30 H new ATOM 0 HG SER A 60 1.562 12.850 11.164 1.00 2.26 H new ATOM 902 N ASP A 61 2.976 15.536 8.008 1.00 1.38 N ATOM 903 CA ASP A 61 3.828 16.689 7.754 1.00 1.64 C ATOM 904 C ASP A 61 4.560 16.518 6.410 1.00 1.20 C ATOM 905 O ASP A 61 5.741 16.835 6.313 1.00 1.02 O ATOM 906 CB ASP A 61 4.801 16.774 8.941 1.00 2.15 C ATOM 907 CG ASP A 61 5.625 18.055 8.956 1.00 2.63 C ATOM 908 OD1 ASP A 61 5.062 19.103 8.575 1.00 3.97 O ATOM 909 OD2 ASP A 61 6.787 17.968 9.409 1.00 2.46 O ATOM 0 H ASP A 61 3.505 14.677 8.158 1.00 1.38 H new ATOM 0 HA ASP A 61 3.257 17.614 7.673 1.00 1.64 H new ATOM 0 HB2 ASP A 61 4.236 16.703 9.870 1.00 2.15 H new ATOM 0 HB3 ASP A 61 5.475 15.918 8.911 1.00 2.15 H new ATOM 914 N ASP A 62 3.891 15.923 5.404 1.00 1.19 N ATOM 915 CA ASP A 62 4.501 15.198 4.300 1.00 0.97 C ATOM 916 C ASP A 62 6.021 15.110 4.235 1.00 1.08 C ATOM 917 O ASP A 62 6.674 15.745 3.409 1.00 1.34 O ATOM 918 CB ASP A 62 3.859 15.435 2.930 1.00 1.27 C ATOM 919 CG ASP A 62 4.253 14.298 1.984 1.00 1.84 C ATOM 920 OD1 ASP A 62 4.665 13.238 2.513 1.00 2.76 O ATOM 921 OD2 ASP A 62 4.082 14.457 0.759 1.00 2.53 O ATOM 0 H ASP A 62 2.873 15.941 5.346 1.00 1.19 H new ATOM 0 HA ASP A 62 4.231 14.186 4.603 1.00 0.97 H new ATOM 0 HB2 ASP A 62 2.774 15.483 3.027 1.00 1.27 H new ATOM 0 HB3 ASP A 62 4.186 16.392 2.523 1.00 1.27 H new ATOM 926 N ALA A 63 6.543 14.192 5.046 1.00 1.01 N ATOM 927 CA ALA A 63 7.821 13.563 4.789 1.00 1.11 C ATOM 928 C ALA A 63 7.540 12.083 4.542 1.00 0.93 C ATOM 929 O ALA A 63 8.162 11.209 5.138 1.00 1.12 O ATOM 930 CB ALA A 63 8.647 13.749 6.056 1.00 1.34 C ATOM 0 H ALA A 63 6.086 13.868 5.898 1.00 1.01 H new ATOM 0 HA ALA A 63 8.351 13.980 3.933 1.00 1.11 H new ATOM 0 HB1 ALA A 63 9.628 13.292 5.921 1.00 1.34 H new ATOM 0 HB2 ALA A 63 8.767 14.813 6.259 1.00 1.34 H new ATOM 0 HB3 ALA A 63 8.138 13.275 6.895 1.00 1.34 H new ATOM 936 N GLY A 64 6.615 11.812 3.624 1.00 0.76 N ATOM 937 CA GLY A 64 5.999 10.515 3.452 1.00 0.72 C ATOM 938 C GLY A 64 6.457 9.871 2.150 1.00 0.66 C ATOM 939 O GLY A 64 7.228 10.437 1.371 1.00 0.90 O ATOM 0 H GLY A 64 6.270 12.512 2.967 1.00 0.76 H new ATOM 0 HA2 GLY A 64 6.256 9.870 4.293 1.00 0.72 H new ATOM 0 HA3 GLY A 64 4.914 10.619 3.450 1.00 0.72 H new ATOM 943 N GLY A 65 5.985 8.653 1.914 1.00 0.86 N ATOM 944 CA GLY A 65 6.292 7.848 0.756 1.00 1.04 C ATOM 945 C GLY A 65 5.475 8.227 -0.472 1.00 0.90 C ATOM 946 O GLY A 65 4.665 9.158 -0.468 1.00 1.18 O ATOM 0 H GLY A 65 5.349 8.185 2.560 1.00 0.86 H new ATOM 0 HA2 GLY A 65 7.352 7.947 0.524 1.00 1.04 H new ATOM 0 HA3 GLY A 65 6.114 6.799 0.993 1.00 1.04 H new ATOM 950 N LYS A 66 5.752 7.532 -1.569 1.00 1.00 N ATOM 951 CA LYS A 66 4.863 7.418 -2.704 1.00 1.13 C ATOM 952 C LYS A 66 4.793 5.920 -2.994 1.00 0.75 C ATOM 953 O LYS A 66 5.732 5.196 -2.668 1.00 0.94 O ATOM 954 CB LYS A 66 5.380 8.227 -3.897 1.00 1.71 C ATOM 955 CG LYS A 66 5.317 9.750 -3.678 1.00 2.33 C ATOM 956 CD LYS A 66 6.687 10.428 -3.493 1.00 3.10 C ATOM 957 CE LYS A 66 7.316 10.411 -2.088 1.00 4.14 C ATOM 958 NZ LYS A 66 6.475 11.097 -1.076 1.00 6.37 N ATOM 0 H LYS A 66 6.626 7.021 -1.690 1.00 1.00 H new ATOM 0 HA LYS A 66 3.873 7.826 -2.503 1.00 1.13 H new ATOM 0 HB2 LYS A 66 6.411 7.939 -4.102 1.00 1.71 H new ATOM 0 HB3 LYS A 66 4.796 7.970 -4.781 1.00 1.71 H new ATOM 0 HG2 LYS A 66 4.813 10.206 -4.530 1.00 2.33 H new ATOM 0 HG3 LYS A 66 4.704 9.953 -2.799 1.00 2.33 H new ATOM 0 HD2 LYS A 66 7.389 9.955 -4.179 1.00 3.10 H new ATOM 0 HD3 LYS A 66 6.590 11.468 -3.803 1.00 3.10 H new ATOM 0 HE2 LYS A 66 7.479 9.378 -1.780 1.00 4.14 H new ATOM 0 HE3 LYS A 66 8.294 10.890 -2.127 1.00 4.14 H new ATOM 0 HZ1 LYS A 66 6.945 11.056 -0.149 1.00 6.37 H new ATOM 0 HZ2 LYS A 66 6.340 12.090 -1.352 1.00 6.37 H new ATOM 0 HZ3 LYS A 66 5.550 10.626 -1.016 1.00 6.37 H new ATOM 972 N LEU A 67 3.659 5.463 -3.518 1.00 0.64 N ATOM 973 CA LEU A 67 3.298 4.063 -3.630 1.00 0.59 C ATOM 974 C LEU A 67 3.258 3.700 -5.112 1.00 0.84 C ATOM 975 O LEU A 67 2.374 4.157 -5.841 1.00 1.26 O ATOM 976 CB LEU A 67 1.930 3.869 -2.963 1.00 0.69 C ATOM 977 CG LEU A 67 1.501 2.395 -2.917 1.00 0.71 C ATOM 978 CD1 LEU A 67 2.000 1.726 -1.635 1.00 0.76 C ATOM 979 CD2 LEU A 67 -0.027 2.314 -2.997 1.00 0.85 C ATOM 0 H LEU A 67 2.942 6.086 -3.889 1.00 0.64 H new ATOM 0 HA LEU A 67 4.020 3.414 -3.135 1.00 0.59 H new ATOM 0 HB2 LEU A 67 1.965 4.266 -1.948 1.00 0.69 H new ATOM 0 HB3 LEU A 67 1.180 4.445 -3.505 1.00 0.69 H new ATOM 0 HG LEU A 67 1.940 1.869 -3.764 1.00 0.71 H new ATOM 0 HD11 LEU A 67 1.685 0.683 -1.623 1.00 0.76 H new ATOM 0 HD12 LEU A 67 3.088 1.777 -1.598 1.00 0.76 H new ATOM 0 HD13 LEU A 67 1.583 2.241 -0.770 1.00 0.76 H new ATOM 0 HD21 LEU A 67 -0.338 1.270 -2.965 1.00 0.85 H new ATOM 0 HD22 LEU A 67 -0.464 2.849 -2.154 1.00 0.85 H new ATOM 0 HD23 LEU A 67 -0.367 2.765 -3.929 1.00 0.85 H new ATOM 991 N THR A 68 4.222 2.892 -5.560 1.00 0.85 N ATOM 992 CA THR A 68 4.273 2.424 -6.936 1.00 1.14 C ATOM 993 C THR A 68 3.423 1.163 -7.099 1.00 1.03 C ATOM 994 O THR A 68 3.149 0.449 -6.139 1.00 1.06 O ATOM 995 CB THR A 68 5.733 2.248 -7.387 1.00 1.55 C ATOM 996 OG1 THR A 68 5.842 2.408 -8.791 1.00 3.69 O ATOM 997 CG2 THR A 68 6.350 0.914 -6.957 1.00 1.77 C ATOM 0 H THR A 68 4.984 2.548 -4.976 1.00 0.85 H new ATOM 0 HA THR A 68 3.838 3.172 -7.599 1.00 1.14 H new ATOM 0 HB THR A 68 6.302 3.028 -6.882 1.00 1.55 H new ATOM 0 HG1 THR A 68 6.777 2.295 -9.062 1.00 3.69 H new ATOM 0 HG21 THR A 68 7.380 0.859 -7.309 1.00 1.77 H new ATOM 0 HG22 THR A 68 6.334 0.839 -5.870 1.00 1.77 H new ATOM 0 HG23 THR A 68 5.776 0.093 -7.386 1.00 1.77 H new ATOM 1005 N TYR A 69 3.020 0.880 -8.334 1.00 1.00 N ATOM 1006 CA TYR A 69 2.032 -0.129 -8.641 1.00 0.95 C ATOM 1007 C TYR A 69 2.599 -1.539 -8.522 1.00 0.85 C ATOM 1008 O TYR A 69 3.381 -1.991 -9.356 1.00 0.94 O ATOM 1009 CB TYR A 69 1.468 0.201 -10.023 1.00 0.97 C ATOM 1010 CG TYR A 69 2.444 0.235 -11.190 1.00 0.95 C ATOM 1011 CD1 TYR A 69 3.122 1.426 -11.522 1.00 1.95 C ATOM 1012 CD2 TYR A 69 2.627 -0.908 -11.990 1.00 2.12 C ATOM 1013 CE1 TYR A 69 3.991 1.461 -12.625 1.00 2.00 C ATOM 1014 CE2 TYR A 69 3.488 -0.869 -13.101 1.00 2.14 C ATOM 1015 CZ TYR A 69 4.170 0.317 -13.417 1.00 1.09 C ATOM 1016 OH TYR A 69 5.004 0.367 -14.494 1.00 1.29 O ATOM 0 H TYR A 69 3.382 1.358 -9.159 1.00 1.00 H new ATOM 0 HA TYR A 69 1.219 -0.116 -7.915 1.00 0.95 H new ATOM 0 HB2 TYR A 69 0.693 -0.530 -10.254 1.00 0.97 H new ATOM 0 HB3 TYR A 69 0.980 1.174 -9.964 1.00 0.97 H new ATOM 0 HD1 TYR A 69 2.973 2.314 -10.926 1.00 1.95 H new ATOM 0 HD2 TYR A 69 2.103 -1.821 -11.749 1.00 2.12 H new ATOM 0 HE1 TYR A 69 4.522 2.370 -12.864 1.00 2.00 H new ATOM 0 HE2 TYR A 69 3.625 -1.750 -13.710 1.00 2.14 H new ATOM 0 HH TYR A 69 5.019 -0.507 -14.937 1.00 1.29 H new ATOM 1026 N THR A 70 2.202 -2.256 -7.466 1.00 0.77 N ATOM 1027 CA THR A 70 2.598 -3.641 -7.268 1.00 0.76 C ATOM 1028 C THR A 70 1.527 -4.407 -6.482 1.00 0.78 C ATOM 1029 O THR A 70 1.571 -4.483 -5.255 1.00 0.80 O ATOM 1030 CB THR A 70 3.968 -3.684 -6.566 1.00 0.82 C ATOM 1031 OG1 THR A 70 4.958 -3.036 -7.345 1.00 1.01 O ATOM 1032 CG2 THR A 70 4.459 -5.113 -6.319 1.00 0.90 C ATOM 0 H THR A 70 1.599 -1.888 -6.730 1.00 0.77 H new ATOM 0 HA THR A 70 2.692 -4.135 -8.235 1.00 0.76 H new ATOM 0 HB THR A 70 3.821 -3.178 -5.612 1.00 0.82 H new ATOM 0 HG1 THR A 70 5.819 -3.075 -6.878 1.00 1.01 H new ATOM 0 HG21 THR A 70 5.429 -5.084 -5.822 1.00 0.90 H new ATOM 0 HG22 THR A 70 3.743 -5.640 -5.688 1.00 0.90 H new ATOM 0 HG23 THR A 70 4.555 -5.634 -7.271 1.00 0.90 H new ATOM 1040 N ILE A 71 0.562 -4.985 -7.205 1.00 0.85 N ATOM 1041 CA ILE A 71 -0.406 -5.934 -6.678 1.00 0.90 C ATOM 1042 C ILE A 71 -0.650 -6.993 -7.753 1.00 0.97 C ATOM 1043 O ILE A 71 -1.094 -6.679 -8.855 1.00 1.34 O ATOM 1044 CB ILE A 71 -1.715 -5.256 -6.215 1.00 0.99 C ATOM 1045 CG1 ILE A 71 -2.802 -5.104 -7.300 1.00 1.15 C ATOM 1046 CG2 ILE A 71 -1.444 -3.944 -5.468 1.00 1.30 C ATOM 1047 CD1 ILE A 71 -4.014 -4.287 -6.856 1.00 2.14 C ATOM 0 H ILE A 71 0.435 -4.796 -8.199 1.00 0.85 H new ATOM 0 HA ILE A 71 -0.005 -6.402 -5.779 1.00 0.90 H new ATOM 0 HB ILE A 71 -2.153 -5.961 -5.509 1.00 0.99 H new ATOM 0 HG12 ILE A 71 -2.361 -4.632 -8.178 1.00 1.15 H new ATOM 0 HG13 ILE A 71 -3.137 -6.095 -7.605 1.00 1.15 H new ATOM 0 HG21 ILE A 71 -2.390 -3.499 -5.159 1.00 1.30 H new ATOM 0 HG22 ILE A 71 -0.834 -4.146 -4.588 1.00 1.30 H new ATOM 0 HG23 ILE A 71 -0.915 -3.254 -6.125 1.00 1.30 H new ATOM 0 HD11 ILE A 71 -4.732 -4.227 -7.674 1.00 2.14 H new ATOM 0 HD12 ILE A 71 -4.482 -4.768 -5.997 1.00 2.14 H new ATOM 0 HD13 ILE A 71 -3.694 -3.282 -6.579 1.00 2.14 H new ATOM 1059 N ASP A 72 -0.330 -8.247 -7.465 1.00 0.76 N ATOM 1060 CA ASP A 72 -0.472 -9.316 -8.433 1.00 0.72 C ATOM 1061 C ASP A 72 -1.950 -9.700 -8.549 1.00 0.62 C ATOM 1062 O ASP A 72 -2.401 -10.618 -7.861 1.00 0.94 O ATOM 1063 CB ASP A 72 0.461 -10.472 -8.041 1.00 0.89 C ATOM 1064 CG ASP A 72 1.894 -9.983 -7.871 1.00 2.53 C ATOM 1065 OD1 ASP A 72 2.110 -9.169 -6.945 1.00 4.10 O ATOM 1066 OD2 ASP A 72 2.749 -10.357 -8.700 1.00 3.13 O ATOM 0 H ASP A 72 0.032 -8.547 -6.560 1.00 0.76 H new ATOM 0 HA ASP A 72 -0.166 -9.003 -9.431 1.00 0.72 H new ATOM 0 HB2 ASP A 72 0.115 -10.925 -7.112 1.00 0.89 H new ATOM 0 HB3 ASP A 72 0.426 -11.248 -8.806 1.00 0.89 H new ATOM 1071 N PHE A 73 -2.688 -8.952 -9.386 1.00 0.92 N ATOM 1072 CA PHE A 73 -4.115 -9.090 -9.713 1.00 0.87 C ATOM 1073 C PHE A 73 -4.654 -10.522 -9.648 1.00 0.99 C ATOM 1074 O PHE A 73 -5.780 -10.723 -9.197 1.00 1.15 O ATOM 1075 CB PHE A 73 -4.416 -8.517 -11.104 1.00 1.05 C ATOM 1076 CG PHE A 73 -4.121 -7.050 -11.377 1.00 1.20 C ATOM 1077 CD1 PHE A 73 -4.389 -6.059 -10.413 1.00 2.44 C ATOM 1078 CD2 PHE A 73 -3.787 -6.657 -12.687 1.00 1.89 C ATOM 1079 CE1 PHE A 73 -4.359 -4.697 -10.766 1.00 2.77 C ATOM 1080 CE2 PHE A 73 -3.762 -5.298 -13.042 1.00 1.91 C ATOM 1081 CZ PHE A 73 -4.070 -4.317 -12.086 1.00 1.79 C ATOM 0 H PHE A 73 -2.267 -8.173 -9.892 1.00 0.92 H new ATOM 0 HA PHE A 73 -4.627 -8.523 -8.935 1.00 0.87 H new ATOM 0 HB2 PHE A 73 -3.856 -9.106 -11.831 1.00 1.05 H new ATOM 0 HB3 PHE A 73 -5.474 -8.683 -11.306 1.00 1.05 H new ATOM 0 HD1 PHE A 73 -4.619 -6.346 -9.397 1.00 2.44 H new ATOM 0 HD2 PHE A 73 -3.548 -7.407 -13.426 1.00 1.89 H new ATOM 0 HE1 PHE A 73 -4.559 -3.942 -10.020 1.00 2.77 H new ATOM 0 HE2 PHE A 73 -3.506 -5.008 -14.050 1.00 1.91 H new ATOM 0 HZ PHE A 73 -4.085 -3.274 -12.365 1.00 1.79 H new ATOM 1091 N ALA A 74 -3.859 -11.501 -10.086 1.00 1.15 N ATOM 1092 CA ALA A 74 -4.208 -12.917 -10.100 1.00 1.45 C ATOM 1093 C ALA A 74 -4.710 -13.439 -8.749 1.00 1.41 C ATOM 1094 O ALA A 74 -5.413 -14.442 -8.703 1.00 1.74 O ATOM 1095 CB ALA A 74 -2.987 -13.718 -10.558 1.00 1.77 C ATOM 0 H ALA A 74 -2.924 -11.320 -10.452 1.00 1.15 H new ATOM 0 HA ALA A 74 -5.040 -13.042 -10.793 1.00 1.45 H new ATOM 0 HB1 ALA A 74 -3.233 -14.780 -10.573 1.00 1.77 H new ATOM 0 HB2 ALA A 74 -2.697 -13.398 -11.559 1.00 1.77 H new ATOM 0 HB3 ALA A 74 -2.160 -13.547 -9.868 1.00 1.77 H new ATOM 1101 N ALA A 75 -4.344 -12.770 -7.658 1.00 1.18 N ATOM 1102 CA ALA A 75 -4.851 -13.044 -6.314 1.00 1.26 C ATOM 1103 C ALA A 75 -5.031 -11.718 -5.576 1.00 1.24 C ATOM 1104 O ALA A 75 -6.081 -11.480 -4.979 1.00 1.91 O ATOM 1105 CB ALA A 75 -3.900 -13.993 -5.579 1.00 1.30 C ATOM 0 H ALA A 75 -3.671 -12.004 -7.684 1.00 1.18 H new ATOM 0 HA ALA A 75 -5.820 -13.540 -6.364 1.00 1.26 H new ATOM 0 HB1 ALA A 75 -4.285 -14.192 -4.579 1.00 1.30 H new ATOM 0 HB2 ALA A 75 -3.823 -14.930 -6.131 1.00 1.30 H new ATOM 0 HB3 ALA A 75 -2.914 -13.534 -5.503 1.00 1.30 H new ATOM 1111 N LYS A 76 -4.019 -10.849 -5.695 1.00 0.85 N ATOM 1112 CA LYS A 76 -3.986 -9.445 -5.335 1.00 0.83 C ATOM 1113 C LYS A 76 -3.342 -9.268 -3.967 1.00 0.94 C ATOM 1114 O LYS A 76 -3.929 -9.604 -2.942 1.00 1.66 O ATOM 1115 CB LYS A 76 -5.353 -8.791 -5.502 1.00 0.92 C ATOM 1116 CG LYS A 76 -5.284 -7.263 -5.548 1.00 1.28 C ATOM 1117 CD LYS A 76 -6.347 -6.683 -6.480 1.00 2.20 C ATOM 1118 CE LYS A 76 -7.729 -7.316 -6.272 1.00 3.22 C ATOM 1119 NZ LYS A 76 -8.847 -6.474 -6.738 1.00 4.20 N ATOM 0 H LYS A 76 -3.125 -11.149 -6.083 1.00 0.85 H new ATOM 0 HA LYS A 76 -3.347 -8.901 -6.031 1.00 0.83 H new ATOM 0 HB2 LYS A 76 -5.814 -9.156 -6.420 1.00 0.92 H new ATOM 0 HB3 LYS A 76 -5.998 -9.095 -4.678 1.00 0.92 H new ATOM 0 HG2 LYS A 76 -5.420 -6.861 -4.544 1.00 1.28 H new ATOM 0 HG3 LYS A 76 -4.295 -6.952 -5.884 1.00 1.28 H new ATOM 0 HD2 LYS A 76 -6.417 -5.607 -6.319 1.00 2.20 H new ATOM 0 HD3 LYS A 76 -6.037 -6.831 -7.514 1.00 2.20 H new ATOM 0 HE2 LYS A 76 -7.763 -8.271 -6.796 1.00 3.22 H new ATOM 0 HE3 LYS A 76 -7.865 -7.529 -5.212 1.00 3.22 H new ATOM 0 HZ1 LYS A 76 -9.401 -6.149 -5.920 1.00 4.20 H new ATOM 0 HZ2 LYS A 76 -8.471 -5.651 -7.251 1.00 4.20 H new ATOM 0 HZ3 LYS A 76 -9.458 -7.028 -7.372 1.00 4.20 H new ATOM 1133 N GLN A 77 -2.100 -8.771 -3.982 1.00 0.74 N ATOM 1134 CA GLN A 77 -1.299 -8.694 -2.768 1.00 0.87 C ATOM 1135 C GLN A 77 -1.572 -7.379 -2.044 1.00 1.71 C ATOM 1136 O GLN A 77 -2.092 -7.364 -0.929 1.00 3.66 O ATOM 1137 CB GLN A 77 0.205 -8.877 -3.030 1.00 1.18 C ATOM 1138 CG GLN A 77 0.597 -9.994 -4.003 1.00 1.13 C ATOM 1139 CD GLN A 77 -0.297 -11.225 -3.956 1.00 1.03 C ATOM 1140 OE1 GLN A 77 -1.211 -11.352 -4.918 1.00 1.74 O flip ATOM 1141 NE2 GLN A 77 -0.161 -12.063 -3.076 1.00 0.90 N flip ATOM 0 H GLN A 77 -1.635 -8.419 -4.819 1.00 0.74 H new ATOM 0 HA GLN A 77 -1.599 -9.525 -2.130 1.00 0.87 H new ATOM 0 HB2 GLN A 77 0.602 -7.936 -3.412 1.00 1.18 H new ATOM 0 HB3 GLN A 77 0.697 -9.067 -2.076 1.00 1.18 H new ATOM 0 HG2 GLN A 77 0.587 -9.594 -5.017 1.00 1.13 H new ATOM 0 HG3 GLN A 77 1.622 -10.298 -3.791 1.00 1.13 H new ATOM 0 HE21 GLN A 77 0.549 -11.935 -2.355 1.00 0.90 H new ATOM 0 HE22 GLN A 77 -0.757 -12.891 -3.063 1.00 0.90 H new ATOM 1150 N GLY A 78 -1.247 -6.266 -2.716 1.00 0.93 N ATOM 1151 CA GLY A 78 -1.552 -4.926 -2.245 1.00 1.54 C ATOM 1152 C GLY A 78 -0.328 -4.143 -1.775 1.00 1.03 C ATOM 1153 O GLY A 78 -0.456 -3.370 -0.830 1.00 1.20 O ATOM 0 H GLY A 78 -0.759 -6.281 -3.612 1.00 0.93 H new ATOM 0 HA2 GLY A 78 -2.040 -4.372 -3.047 1.00 1.54 H new ATOM 0 HA3 GLY A 78 -2.266 -4.993 -1.424 1.00 1.54 H new ATOM 1157 N ASN A 79 0.852 -4.328 -2.387 1.00 0.82 N ATOM 1158 CA ASN A 79 2.111 -4.012 -1.710 1.00 0.81 C ATOM 1159 C ASN A 79 3.124 -3.346 -2.639 1.00 0.99 C ATOM 1160 O ASN A 79 4.007 -4.002 -3.184 1.00 1.76 O ATOM 1161 CB ASN A 79 2.673 -5.272 -1.031 1.00 0.98 C ATOM 1162 CG ASN A 79 1.657 -5.873 -0.066 1.00 1.37 C ATOM 1163 OD1 ASN A 79 1.171 -6.980 -0.269 1.00 2.75 O ATOM 1164 ND2 ASN A 79 1.278 -5.118 0.956 1.00 0.96 N ATOM 0 H ASN A 79 0.957 -4.689 -3.335 1.00 0.82 H new ATOM 0 HA ASN A 79 1.903 -3.274 -0.935 1.00 0.81 H new ATOM 0 HB2 ASN A 79 2.940 -6.009 -1.788 1.00 0.98 H new ATOM 0 HB3 ASN A 79 3.587 -5.022 -0.493 1.00 0.98 H new ATOM 0 HD21 ASN A 79 0.563 -5.454 1.601 1.00 0.96 H new ATOM 0 HD22 ASN A 79 1.702 -4.201 1.098 1.00 0.96 H new ATOM 1171 N GLY A 80 3.019 -2.021 -2.768 1.00 0.90 N ATOM 1172 CA GLY A 80 4.016 -1.171 -3.399 1.00 0.87 C ATOM 1173 C GLY A 80 4.951 -0.613 -2.334 1.00 0.86 C ATOM 1174 O GLY A 80 4.481 -0.122 -1.312 1.00 1.00 O ATOM 0 H GLY A 80 2.212 -1.501 -2.424 1.00 0.90 H new ATOM 0 HA2 GLY A 80 4.583 -1.741 -4.134 1.00 0.87 H new ATOM 0 HA3 GLY A 80 3.529 -0.356 -3.934 1.00 0.87 H new ATOM 1178 N LYS A 81 6.265 -0.684 -2.547 1.00 0.85 N ATOM 1179 CA LYS A 81 7.212 -0.188 -1.556 1.00 0.82 C ATOM 1180 C LYS A 81 7.356 1.331 -1.626 1.00 0.86 C ATOM 1181 O LYS A 81 7.259 1.927 -2.700 1.00 0.99 O ATOM 1182 CB LYS A 81 8.545 -0.940 -1.617 1.00 0.93 C ATOM 1183 CG LYS A 81 9.383 -0.858 -2.900 1.00 1.11 C ATOM 1184 CD LYS A 81 10.305 0.373 -2.946 1.00 2.38 C ATOM 1185 CE LYS A 81 11.330 0.193 -4.076 1.00 3.10 C ATOM 1186 NZ LYS A 81 12.160 1.396 -4.294 1.00 4.75 N ATOM 0 H LYS A 81 6.691 -1.076 -3.387 1.00 0.85 H new ATOM 0 HA LYS A 81 6.805 -0.399 -0.567 1.00 0.82 H new ATOM 0 HB2 LYS A 81 9.164 -0.581 -0.795 1.00 0.93 H new ATOM 0 HB3 LYS A 81 8.339 -1.993 -1.424 1.00 0.93 H new ATOM 0 HG2 LYS A 81 9.988 -1.760 -2.989 1.00 1.11 H new ATOM 0 HG3 LYS A 81 8.715 -0.836 -3.761 1.00 1.11 H new ATOM 0 HD2 LYS A 81 9.718 1.276 -3.112 1.00 2.38 H new ATOM 0 HD3 LYS A 81 10.816 0.496 -1.991 1.00 2.38 H new ATOM 0 HE2 LYS A 81 11.978 -0.652 -3.842 1.00 3.10 H new ATOM 0 HE3 LYS A 81 10.806 -0.054 -5.000 1.00 3.10 H new ATOM 0 HZ1 LYS A 81 12.749 1.262 -5.140 1.00 4.75 H new ATOM 0 HZ2 LYS A 81 11.544 2.223 -4.428 1.00 4.75 H new ATOM 0 HZ3 LYS A 81 12.772 1.550 -3.467 1.00 4.75 H new ATOM 1200 N ILE A 82 7.582 1.940 -0.463 1.00 0.86 N ATOM 1201 CA ILE A 82 7.751 3.371 -0.259 1.00 0.92 C ATOM 1202 C ILE A 82 9.245 3.643 -0.089 1.00 0.91 C ATOM 1203 O ILE A 82 9.869 3.181 0.867 1.00 1.37 O ATOM 1204 CB ILE A 82 6.930 3.779 0.979 1.00 1.03 C ATOM 1205 CG1 ILE A 82 5.463 4.027 0.592 1.00 1.67 C ATOM 1206 CG2 ILE A 82 7.576 4.924 1.778 1.00 1.37 C ATOM 1207 CD1 ILE A 82 4.552 4.101 1.823 1.00 2.09 C ATOM 0 H ILE A 82 7.656 1.415 0.409 1.00 0.86 H new ATOM 0 HA ILE A 82 7.393 3.960 -1.103 1.00 0.92 H new ATOM 0 HB ILE A 82 6.932 2.943 1.678 1.00 1.03 H new ATOM 0 HG12 ILE A 82 5.388 4.957 0.029 1.00 1.67 H new ATOM 0 HG13 ILE A 82 5.121 3.228 -0.065 1.00 1.67 H new ATOM 0 HG21 ILE A 82 6.951 5.166 2.637 1.00 1.37 H new ATOM 0 HG22 ILE A 82 8.563 4.616 2.123 1.00 1.37 H new ATOM 0 HG23 ILE A 82 7.673 5.803 1.141 1.00 1.37 H new ATOM 0 HD11 ILE A 82 3.524 4.277 1.505 1.00 2.09 H new ATOM 0 HD12 ILE A 82 4.606 3.161 2.372 1.00 2.09 H new ATOM 0 HD13 ILE A 82 4.877 4.917 2.468 1.00 2.09 H new ATOM 1219 N GLU A 83 9.797 4.429 -1.010 1.00 0.77 N ATOM 1220 CA GLU A 83 11.161 4.904 -0.998 1.00 0.87 C ATOM 1221 C GLU A 83 11.150 6.282 -1.634 1.00 1.18 C ATOM 1222 O GLU A 83 11.015 6.364 -2.849 1.00 1.67 O ATOM 1223 CB GLU A 83 12.040 3.985 -1.845 1.00 0.99 C ATOM 1224 CG GLU A 83 13.380 4.694 -2.096 1.00 1.53 C ATOM 1225 CD GLU A 83 14.411 3.784 -2.749 1.00 1.99 C ATOM 1226 OE1 GLU A 83 14.005 2.673 -3.163 1.00 1.99 O ATOM 1227 OE2 GLU A 83 15.569 4.230 -2.869 1.00 3.29 O ATOM 0 H GLU A 83 9.273 4.763 -1.819 1.00 0.77 H new ATOM 0 HA GLU A 83 11.551 4.927 0.020 1.00 0.87 H new ATOM 0 HB2 GLU A 83 12.202 3.037 -1.332 1.00 0.99 H new ATOM 0 HB3 GLU A 83 11.549 3.756 -2.791 1.00 0.99 H new ATOM 0 HG2 GLU A 83 13.213 5.563 -2.732 1.00 1.53 H new ATOM 0 HG3 GLU A 83 13.774 5.063 -1.149 1.00 1.53 H new ATOM 1234 N HIS A 84 11.324 7.331 -0.835 1.00 1.08 N ATOM 1235 CA HIS A 84 11.777 8.646 -1.301 1.00 1.23 C ATOM 1236 C HIS A 84 12.386 9.381 -0.107 1.00 1.20 C ATOM 1237 O HIS A 84 12.105 10.556 0.120 1.00 1.91 O ATOM 1238 CB HIS A 84 10.619 9.464 -1.898 1.00 1.74 C ATOM 1239 CG HIS A 84 10.133 9.020 -3.255 1.00 1.85 C ATOM 1240 ND1 HIS A 84 9.113 8.141 -3.502 1.00 2.95 N flip ATOM 1241 CD2 HIS A 84 10.650 9.406 -4.471 1.00 2.46 C flip ATOM 1242 CE1 HIS A 84 8.991 8.000 -4.887 1.00 4.13 C flip ATOM 1243 NE2 HIS A 84 9.948 8.772 -5.427 1.00 3.91 N flip ATOM 0 H HIS A 84 11.153 7.295 0.170 1.00 1.08 H new ATOM 0 HA HIS A 84 12.515 8.517 -2.092 1.00 1.23 H new ATOM 0 HB2 HIS A 84 9.780 9.430 -1.203 1.00 1.74 H new ATOM 0 HB3 HIS A 84 10.933 10.505 -1.968 1.00 1.74 H new ATOM 0 HD2 HIS A 84 11.469 10.092 -4.628 1.00 2.46 H new ATOM 0 HE1 HIS A 84 8.272 7.393 -5.416 1.00 4.13 H new ATOM 0 HE2 HIS A 84 10.119 8.865 -6.428 1.00 3.91 H new ATOM 1251 N LEU A 85 13.123 8.652 0.733 1.00 0.73 N ATOM 1252 CA LEU A 85 13.296 9.036 2.126 1.00 0.94 C ATOM 1253 C LEU A 85 14.724 9.484 2.390 1.00 1.00 C ATOM 1254 O LEU A 85 15.674 9.001 1.782 1.00 1.17 O ATOM 1255 CB LEU A 85 12.835 7.884 3.033 1.00 1.27 C ATOM 1256 CG LEU A 85 11.305 7.797 3.012 1.00 1.46 C ATOM 1257 CD1 LEU A 85 10.780 6.385 3.282 1.00 2.11 C ATOM 1258 CD2 LEU A 85 10.639 8.794 3.969 1.00 1.60 C ATOM 0 H LEU A 85 13.607 7.794 0.469 1.00 0.73 H new ATOM 0 HA LEU A 85 12.671 9.898 2.358 1.00 0.94 H new ATOM 0 HB2 LEU A 85 13.268 6.943 2.692 1.00 1.27 H new ATOM 0 HB3 LEU A 85 13.187 8.046 4.052 1.00 1.27 H new ATOM 0 HG LEU A 85 11.028 8.067 1.993 1.00 1.46 H new ATOM 0 HD11 LEU A 85 9.690 6.390 3.254 1.00 2.11 H new ATOM 0 HD12 LEU A 85 11.160 5.704 2.520 1.00 2.11 H new ATOM 0 HD13 LEU A 85 11.116 6.054 4.265 1.00 2.11 H new ATOM 0 HD21 LEU A 85 9.556 8.686 3.911 1.00 1.60 H new ATOM 0 HD22 LEU A 85 10.969 8.596 4.989 1.00 1.60 H new ATOM 0 HD23 LEU A 85 10.918 9.810 3.688 1.00 1.60 H new ATOM 1270 N LYS A 86 14.855 10.430 3.321 1.00 1.25 N ATOM 1271 CA LYS A 86 16.112 11.086 3.644 1.00 1.39 C ATOM 1272 C LYS A 86 17.105 10.153 4.325 1.00 1.21 C ATOM 1273 O LYS A 86 18.221 10.573 4.629 1.00 1.45 O ATOM 1274 CB LYS A 86 15.863 12.343 4.482 1.00 1.81 C ATOM 1275 CG LYS A 86 14.927 12.146 5.681 1.00 1.96 C ATOM 1276 CD LYS A 86 15.350 11.168 6.783 1.00 2.75 C ATOM 1277 CE LYS A 86 16.530 11.658 7.649 1.00 3.93 C ATOM 1278 NZ LYS A 86 17.851 11.183 7.183 1.00 5.44 N ATOM 0 H LYS A 86 14.071 10.765 3.880 1.00 1.25 H new ATOM 0 HA LYS A 86 16.570 11.382 2.700 1.00 1.39 H new ATOM 0 HB2 LYS A 86 16.821 12.715 4.845 1.00 1.81 H new ATOM 0 HB3 LYS A 86 15.445 13.115 3.836 1.00 1.81 H new ATOM 0 HG2 LYS A 86 14.771 13.120 6.144 1.00 1.96 H new ATOM 0 HG3 LYS A 86 13.961 11.817 5.298 1.00 1.96 H new ATOM 0 HD2 LYS A 86 14.494 10.977 7.431 1.00 2.75 H new ATOM 0 HD3 LYS A 86 15.622 10.217 6.324 1.00 2.75 H new ATOM 0 HE2 LYS A 86 16.530 12.748 7.662 1.00 3.93 H new ATOM 0 HE3 LYS A 86 16.377 11.327 8.676 1.00 3.93 H new ATOM 0 HZ1 LYS A 86 18.602 11.682 7.702 1.00 5.44 H new ATOM 0 HZ2 LYS A 86 17.932 10.160 7.354 1.00 5.44 H new ATOM 0 HZ3 LYS A 86 17.949 11.373 6.165 1.00 5.44 H new ATOM 1292 N SER A 87 16.670 8.946 4.686 1.00 1.18 N ATOM 1293 CA SER A 87 17.534 7.911 5.242 1.00 1.41 C ATOM 1294 C SER A 87 17.227 6.585 4.559 1.00 1.39 C ATOM 1295 O SER A 87 16.053 6.330 4.279 1.00 1.30 O ATOM 1296 CB SER A 87 17.289 7.769 6.752 1.00 1.87 C ATOM 1297 OG SER A 87 18.223 8.537 7.485 1.00 2.52 O ATOM 0 H SER A 87 15.695 8.658 4.599 1.00 1.18 H new ATOM 0 HA SER A 87 18.575 8.188 5.075 1.00 1.41 H new ATOM 0 HB2 SER A 87 16.276 8.092 6.993 1.00 1.87 H new ATOM 0 HB3 SER A 87 17.366 6.721 7.041 1.00 1.87 H new ATOM 0 HG SER A 87 18.937 7.954 7.818 1.00 2.52 H new ATOM 1303 N PRO A 88 18.231 5.715 4.347 1.00 1.55 N ATOM 1304 CA PRO A 88 17.960 4.323 4.061 1.00 1.53 C ATOM 1305 C PRO A 88 17.058 3.750 5.159 1.00 1.37 C ATOM 1306 O PRO A 88 16.034 3.148 4.828 1.00 1.60 O ATOM 1307 CB PRO A 88 19.311 3.616 3.935 1.00 1.83 C ATOM 1308 CG PRO A 88 20.307 4.556 4.608 1.00 2.02 C ATOM 1309 CD PRO A 88 19.661 5.941 4.510 1.00 1.82 C ATOM 0 HA PRO A 88 17.419 4.181 3.126 1.00 1.53 H new ATOM 0 HB2 PRO A 88 19.295 2.642 4.423 1.00 1.83 H new ATOM 0 HB3 PRO A 88 19.572 3.445 2.891 1.00 1.83 H new ATOM 0 HG2 PRO A 88 20.480 4.272 5.646 1.00 2.02 H new ATOM 0 HG3 PRO A 88 21.274 4.534 4.106 1.00 2.02 H new ATOM 0 HD2 PRO A 88 19.862 6.528 5.406 1.00 1.82 H new ATOM 0 HD3 PRO A 88 20.065 6.500 3.666 1.00 1.82 H new ATOM 1317 N GLU A 89 17.396 3.996 6.436 1.00 1.32 N ATOM 1318 CA GLU A 89 16.759 3.442 7.629 1.00 1.48 C ATOM 1319 C GLU A 89 15.369 4.035 7.876 1.00 1.50 C ATOM 1320 O GLU A 89 15.115 4.706 8.875 1.00 2.66 O ATOM 1321 CB GLU A 89 17.658 3.644 8.856 1.00 2.02 C ATOM 1322 CG GLU A 89 19.140 3.375 8.566 1.00 3.11 C ATOM 1323 CD GLU A 89 19.913 4.659 8.281 1.00 3.62 C ATOM 1324 OE1 GLU A 89 21.066 4.756 8.748 1.00 4.61 O ATOM 1325 OE2 GLU A 89 19.331 5.525 7.587 1.00 3.81 O ATOM 0 H GLU A 89 18.166 4.623 6.670 1.00 1.32 H new ATOM 0 HA GLU A 89 16.623 2.374 7.457 1.00 1.48 H new ATOM 0 HB2 GLU A 89 17.544 4.666 9.218 1.00 2.02 H new ATOM 0 HB3 GLU A 89 17.325 2.983 9.656 1.00 2.02 H new ATOM 0 HG2 GLU A 89 19.588 2.864 9.418 1.00 3.11 H new ATOM 0 HG3 GLU A 89 19.225 2.704 7.711 1.00 3.11 H new ATOM 1332 N LEU A 90 14.474 3.784 6.931 1.00 1.83 N ATOM 1333 CA LEU A 90 13.160 4.375 6.818 1.00 1.72 C ATOM 1334 C LEU A 90 12.347 3.679 5.730 1.00 1.74 C ATOM 1335 O LEU A 90 11.193 3.358 5.973 1.00 2.26 O ATOM 1336 CB LEU A 90 13.293 5.880 6.527 1.00 1.72 C ATOM 1337 CG LEU A 90 12.676 6.678 7.673 1.00 1.74 C ATOM 1338 CD1 LEU A 90 13.060 8.155 7.553 1.00 2.15 C ATOM 1339 CD2 LEU A 90 11.146 6.542 7.698 1.00 2.78 C ATOM 0 H LEU A 90 14.664 3.121 6.180 1.00 1.83 H new ATOM 0 HA LEU A 90 12.630 4.245 7.762 1.00 1.72 H new ATOM 0 HB2 LEU A 90 14.343 6.147 6.409 1.00 1.72 H new ATOM 0 HB3 LEU A 90 12.794 6.125 5.589 1.00 1.72 H new ATOM 0 HG LEU A 90 13.067 6.272 8.606 1.00 1.74 H new ATOM 0 HD11 LEU A 90 12.615 8.715 8.375 1.00 2.15 H new ATOM 0 HD12 LEU A 90 14.145 8.253 7.593 1.00 2.15 H new ATOM 0 HD13 LEU A 90 12.694 8.550 6.605 1.00 2.15 H new ATOM 0 HD21 LEU A 90 10.743 7.124 8.527 1.00 2.78 H new ATOM 0 HD22 LEU A 90 10.732 6.912 6.760 1.00 2.78 H new ATOM 0 HD23 LEU A 90 10.876 5.494 7.825 1.00 2.78 H new ATOM 1351 N ASN A 91 12.951 3.471 4.553 1.00 1.34 N ATOM 1352 CA ASN A 91 12.367 2.836 3.366 1.00 1.35 C ATOM 1353 C ASN A 91 11.302 1.802 3.726 1.00 1.32 C ATOM 1354 O ASN A 91 11.634 0.746 4.261 1.00 1.68 O ATOM 1355 CB ASN A 91 13.480 2.183 2.539 1.00 1.75 C ATOM 1356 CG ASN A 91 14.206 3.194 1.670 1.00 1.99 C ATOM 1357 OD1 ASN A 91 13.947 3.269 0.482 1.00 2.60 O ATOM 1358 ND2 ASN A 91 15.105 3.996 2.234 1.00 1.99 N ATOM 0 H ASN A 91 13.917 3.759 4.395 1.00 1.34 H new ATOM 0 HA ASN A 91 11.873 3.612 2.781 1.00 1.35 H new ATOM 0 HB2 ASN A 91 14.193 1.700 3.207 1.00 1.75 H new ATOM 0 HB3 ASN A 91 13.054 1.402 1.909 1.00 1.75 H new ATOM 0 HD21 ASN A 91 15.593 4.691 1.670 1.00 1.99 H new ATOM 0 HD22 ASN A 91 15.306 3.916 3.231 1.00 1.99 H new ATOM 1365 N VAL A 92 10.029 2.128 3.476 1.00 1.13 N ATOM 1366 CA VAL A 92 8.904 1.359 3.981 1.00 1.18 C ATOM 1367 C VAL A 92 8.478 0.362 2.902 1.00 1.27 C ATOM 1368 O VAL A 92 7.622 0.663 2.069 1.00 1.71 O ATOM 1369 CB VAL A 92 7.760 2.271 4.471 1.00 1.07 C ATOM 1370 CG1 VAL A 92 6.652 1.432 5.115 1.00 1.25 C ATOM 1371 CG2 VAL A 92 8.234 3.312 5.490 1.00 1.36 C ATOM 0 H VAL A 92 9.757 2.936 2.916 1.00 1.13 H new ATOM 0 HA VAL A 92 9.200 0.795 4.866 1.00 1.18 H new ATOM 0 HB VAL A 92 7.385 2.796 3.592 1.00 1.07 H new ATOM 0 HG11 VAL A 92 5.851 2.088 5.456 1.00 1.25 H new ATOM 0 HG12 VAL A 92 6.257 0.727 4.383 1.00 1.25 H new ATOM 0 HG13 VAL A 92 7.058 0.883 5.964 1.00 1.25 H new ATOM 0 HG21 VAL A 92 7.390 3.927 5.802 1.00 1.36 H new ATOM 0 HG22 VAL A 92 8.654 2.806 6.359 1.00 1.36 H new ATOM 0 HG23 VAL A 92 8.996 3.945 5.036 1.00 1.36 H new ATOM 1381 N ASP A 93 9.061 -0.834 2.915 1.00 0.91 N ATOM 1382 CA ASP A 93 8.595 -1.922 2.073 1.00 0.87 C ATOM 1383 C ASP A 93 7.422 -2.571 2.801 1.00 0.87 C ATOM 1384 O ASP A 93 7.541 -2.991 3.951 1.00 1.11 O ATOM 1385 CB ASP A 93 9.728 -2.917 1.778 1.00 0.80 C ATOM 1386 CG ASP A 93 10.560 -2.492 0.572 1.00 1.02 C ATOM 1387 OD1 ASP A 93 10.456 -3.187 -0.462 1.00 1.71 O ATOM 1388 OD2 ASP A 93 11.257 -1.461 0.682 1.00 2.52 O ATOM 0 H ASP A 93 9.860 -1.070 3.503 1.00 0.91 H new ATOM 0 HA ASP A 93 8.269 -1.557 1.099 1.00 0.87 H new ATOM 0 HB2 ASP A 93 10.373 -3.002 2.652 1.00 0.80 H new ATOM 0 HB3 ASP A 93 9.305 -3.905 1.597 1.00 0.80 H new ATOM 1393 N LEU A 94 6.264 -2.623 2.147 1.00 0.93 N ATOM 1394 CA LEU A 94 5.070 -3.200 2.739 1.00 0.98 C ATOM 1395 C LEU A 94 5.201 -4.719 2.631 1.00 0.91 C ATOM 1396 O LEU A 94 5.580 -5.224 1.575 1.00 1.03 O ATOM 1397 CB LEU A 94 3.820 -2.707 2.001 1.00 1.27 C ATOM 1398 CG LEU A 94 3.753 -1.185 1.786 1.00 1.00 C ATOM 1399 CD1 LEU A 94 2.536 -0.861 0.921 1.00 1.41 C ATOM 1400 CD2 LEU A 94 3.604 -0.416 3.092 1.00 1.59 C ATOM 0 H LEU A 94 6.132 -2.268 1.200 1.00 0.93 H new ATOM 0 HA LEU A 94 4.969 -2.901 3.782 1.00 0.98 H new ATOM 0 HB2 LEU A 94 3.772 -3.199 1.030 1.00 1.27 H new ATOM 0 HB3 LEU A 94 2.938 -3.019 2.561 1.00 1.27 H new ATOM 0 HG LEU A 94 4.688 -0.886 1.312 1.00 1.00 H new ATOM 0 HD11 LEU A 94 2.479 0.216 0.762 1.00 1.41 H new ATOM 0 HD12 LEU A 94 2.629 -1.365 -0.041 1.00 1.41 H new ATOM 0 HD13 LEU A 94 1.631 -1.202 1.424 1.00 1.41 H new ATOM 0 HD21 LEU A 94 3.562 0.653 2.882 1.00 1.59 H new ATOM 0 HD22 LEU A 94 2.686 -0.724 3.593 1.00 1.59 H new ATOM 0 HD23 LEU A 94 4.457 -0.626 3.737 1.00 1.59 H new ATOM 1412 N ALA A 95 4.886 -5.454 3.697 1.00 0.91 N ATOM 1413 CA ALA A 95 5.037 -6.899 3.687 1.00 1.03 C ATOM 1414 C ALA A 95 3.879 -7.496 2.891 1.00 1.10 C ATOM 1415 O ALA A 95 2.800 -6.905 2.821 1.00 1.13 O ATOM 1416 CB ALA A 95 5.050 -7.429 5.123 1.00 1.21 C ATOM 0 H ALA A 95 4.527 -5.071 4.571 1.00 0.91 H new ATOM 0 HA ALA A 95 5.980 -7.183 3.219 1.00 1.03 H new ATOM 0 HB1 ALA A 95 5.163 -8.513 5.110 1.00 1.21 H new ATOM 0 HB2 ALA A 95 5.883 -6.984 5.668 1.00 1.21 H new ATOM 0 HB3 ALA A 95 4.113 -7.168 5.616 1.00 1.21 H new ATOM 1422 N ALA A 96 4.094 -8.663 2.281 1.00 1.21 N ATOM 1423 CA ALA A 96 3.176 -9.165 1.277 1.00 1.18 C ATOM 1424 C ALA A 96 1.916 -9.686 1.965 1.00 1.06 C ATOM 1425 O ALA A 96 1.981 -10.594 2.790 1.00 1.48 O ATOM 1426 CB ALA A 96 3.839 -10.261 0.442 1.00 1.44 C ATOM 0 H ALA A 96 4.893 -9.269 2.468 1.00 1.21 H new ATOM 0 HA ALA A 96 2.902 -8.357 0.599 1.00 1.18 H new ATOM 0 HB1 ALA A 96 3.134 -10.625 -0.306 1.00 1.44 H new ATOM 0 HB2 ALA A 96 4.720 -9.856 -0.056 1.00 1.44 H new ATOM 0 HB3 ALA A 96 4.136 -11.084 1.092 1.00 1.44 H new ATOM 1432 N ALA A 97 0.786 -9.061 1.640 1.00 0.73 N ATOM 1433 CA ALA A 97 -0.539 -9.395 2.133 1.00 0.62 C ATOM 1434 C ALA A 97 -1.307 -10.096 1.015 1.00 0.79 C ATOM 1435 O ALA A 97 -0.790 -10.224 -0.090 1.00 1.86 O ATOM 1436 CB ALA A 97 -1.241 -8.106 2.575 1.00 1.08 C ATOM 0 H ALA A 97 0.774 -8.271 0.995 1.00 0.73 H new ATOM 0 HA ALA A 97 -0.485 -10.065 2.991 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -2.237 -8.344 2.947 1.00 1.08 H new ATOM 0 HB2 ALA A 97 -0.662 -7.629 3.366 1.00 1.08 H new ATOM 0 HB3 ALA A 97 -1.323 -7.427 1.726 1.00 1.08 H new ATOM 1442 N ASP A 98 -2.532 -10.531 1.314 1.00 0.67 N ATOM 1443 CA ASP A 98 -3.511 -11.003 0.346 1.00 0.72 C ATOM 1444 C ASP A 98 -4.798 -10.230 0.597 1.00 0.80 C ATOM 1445 O ASP A 98 -5.266 -10.195 1.735 1.00 1.34 O ATOM 1446 CB ASP A 98 -3.793 -12.502 0.536 1.00 1.02 C ATOM 1447 CG ASP A 98 -2.722 -13.397 -0.066 1.00 2.28 C ATOM 1448 OD1 ASP A 98 -2.864 -13.705 -1.269 1.00 3.71 O ATOM 1449 OD2 ASP A 98 -1.819 -13.795 0.700 1.00 3.22 O ATOM 0 H ASP A 98 -2.878 -10.564 2.273 1.00 0.67 H new ATOM 0 HA ASP A 98 -3.133 -10.851 -0.665 1.00 0.72 H new ATOM 0 HB2 ASP A 98 -3.879 -12.716 1.601 1.00 1.02 H new ATOM 0 HB3 ASP A 98 -4.755 -12.744 0.084 1.00 1.02 H new ATOM 1454 N ILE A 99 -5.387 -9.632 -0.442 1.00 0.98 N ATOM 1455 CA ILE A 99 -6.720 -9.056 -0.351 1.00 1.12 C ATOM 1456 C ILE A 99 -7.708 -10.177 -0.702 1.00 1.38 C ATOM 1457 O ILE A 99 -8.009 -10.447 -1.863 1.00 1.94 O ATOM 1458 CB ILE A 99 -6.843 -7.697 -1.089 1.00 1.22 C ATOM 1459 CG1 ILE A 99 -8.090 -7.549 -1.972 1.00 1.61 C ATOM 1460 CG2 ILE A 99 -5.607 -7.319 -1.906 1.00 1.83 C ATOM 1461 CD1 ILE A 99 -8.381 -6.082 -2.308 1.00 1.86 C ATOM 0 H ILE A 99 -4.953 -9.537 -1.360 1.00 0.98 H new ATOM 0 HA ILE A 99 -6.974 -8.727 0.657 1.00 1.12 H new ATOM 0 HB ILE A 99 -6.942 -6.999 -0.258 1.00 1.22 H new ATOM 0 HG12 ILE A 99 -7.950 -8.112 -2.895 1.00 1.61 H new ATOM 0 HG13 ILE A 99 -8.950 -7.982 -1.461 1.00 1.61 H new ATOM 0 HG21 ILE A 99 -5.772 -6.357 -2.391 1.00 1.83 H new ATOM 0 HG22 ILE A 99 -4.742 -7.249 -1.246 1.00 1.83 H new ATOM 0 HG23 ILE A 99 -5.425 -8.081 -2.664 1.00 1.83 H new ATOM 0 HD11 ILE A 99 -9.271 -6.022 -2.934 1.00 1.86 H new ATOM 0 HD12 ILE A 99 -8.547 -5.524 -1.387 1.00 1.86 H new ATOM 0 HD13 ILE A 99 -7.532 -5.656 -2.842 1.00 1.86 H new ATOM 1473 N LYS A 100 -8.151 -10.880 0.341 1.00 1.36 N ATOM 1474 CA LYS A 100 -8.986 -12.076 0.275 1.00 1.60 C ATOM 1475 C LYS A 100 -10.449 -11.671 0.043 1.00 1.84 C ATOM 1476 O LYS A 100 -10.775 -10.513 0.270 1.00 2.29 O ATOM 1477 CB LYS A 100 -8.750 -12.887 1.568 1.00 2.04 C ATOM 1478 CG LYS A 100 -9.279 -12.275 2.882 1.00 3.24 C ATOM 1479 CD LYS A 100 -10.814 -12.277 2.938 1.00 4.35 C ATOM 1480 CE LYS A 100 -11.404 -12.571 4.320 1.00 5.59 C ATOM 1481 NZ LYS A 100 -12.881 -12.577 4.256 1.00 6.84 N ATOM 0 H LYS A 100 -7.925 -10.617 1.300 1.00 1.36 H new ATOM 0 HA LYS A 100 -8.724 -12.718 -0.566 1.00 1.60 H new ATOM 0 HB2 LYS A 100 -9.209 -13.868 1.442 1.00 2.04 H new ATOM 0 HB3 LYS A 100 -7.677 -13.048 1.676 1.00 2.04 H new ATOM 0 HG2 LYS A 100 -8.884 -12.837 3.729 1.00 3.24 H new ATOM 0 HG3 LYS A 100 -8.914 -11.253 2.979 1.00 3.24 H new ATOM 0 HD2 LYS A 100 -11.177 -11.306 2.602 1.00 4.35 H new ATOM 0 HD3 LYS A 100 -11.189 -13.019 2.233 1.00 4.35 H new ATOM 0 HE2 LYS A 100 -11.045 -13.536 4.679 1.00 5.59 H new ATOM 0 HE3 LYS A 100 -11.067 -11.820 5.034 1.00 5.59 H new ATOM 0 HZ1 LYS A 100 -13.255 -13.280 4.925 1.00 6.84 H new ATOM 0 HZ2 LYS A 100 -13.243 -11.635 4.506 1.00 6.84 H new ATOM 0 HZ3 LYS A 100 -13.186 -12.820 3.292 1.00 6.84 H new ATOM 1495 N PRO A 101 -11.370 -12.559 -0.368 1.00 2.78 N ATOM 1496 CA PRO A 101 -12.761 -12.176 -0.592 1.00 3.43 C ATOM 1497 C PRO A 101 -13.514 -11.800 0.697 1.00 2.57 C ATOM 1498 O PRO A 101 -13.542 -12.575 1.656 1.00 3.09 O ATOM 1499 CB PRO A 101 -13.426 -13.377 -1.274 1.00 5.21 C ATOM 1500 CG PRO A 101 -12.528 -14.559 -0.908 1.00 5.53 C ATOM 1501 CD PRO A 101 -11.140 -13.932 -0.782 1.00 4.13 C ATOM 0 HA PRO A 101 -12.794 -11.275 -1.205 1.00 3.43 H new ATOM 0 HB2 PRO A 101 -14.445 -13.525 -0.916 1.00 5.21 H new ATOM 0 HB3 PRO A 101 -13.484 -13.240 -2.354 1.00 5.21 H new ATOM 0 HG2 PRO A 101 -12.842 -15.027 0.025 1.00 5.53 H new ATOM 0 HG3 PRO A 101 -12.550 -15.332 -1.676 1.00 5.53 H new ATOM 0 HD2 PRO A 101 -10.533 -14.466 -0.051 1.00 4.13 H new ATOM 0 HD3 PRO A 101 -10.604 -13.971 -1.730 1.00 4.13 H new ATOM 1509 N ASP A 102 -14.184 -10.639 0.676 1.00 2.32 N ATOM 1510 CA ASP A 102 -15.329 -10.319 1.528 1.00 2.52 C ATOM 1511 C ASP A 102 -16.491 -9.982 0.598 1.00 2.60 C ATOM 1512 O ASP A 102 -17.137 -10.881 0.068 1.00 3.72 O ATOM 1513 CB ASP A 102 -15.043 -9.152 2.492 1.00 2.84 C ATOM 1514 CG ASP A 102 -14.336 -9.572 3.766 1.00 3.92 C ATOM 1515 OD1 ASP A 102 -13.494 -8.777 4.218 1.00 4.29 O ATOM 1516 OD2 ASP A 102 -14.603 -10.687 4.262 1.00 5.33 O ATOM 0 H ASP A 102 -13.934 -9.877 0.046 1.00 2.32 H new ATOM 0 HA ASP A 102 -15.562 -11.173 2.164 1.00 2.52 H new ATOM 0 HB2 ASP A 102 -14.434 -8.408 1.978 1.00 2.84 H new ATOM 0 HB3 ASP A 102 -15.985 -8.668 2.752 1.00 2.84 H new ATOM 1521 N GLY A 103 -16.722 -8.690 0.352 1.00 2.36 N ATOM 1522 CA GLY A 103 -17.797 -8.179 -0.482 1.00 2.96 C ATOM 1523 C GLY A 103 -17.212 -7.476 -1.698 1.00 2.82 C ATOM 1524 O GLY A 103 -16.303 -6.661 -1.533 1.00 3.62 O ATOM 0 H GLY A 103 -16.141 -7.950 0.745 1.00 2.36 H new ATOM 0 HA2 GLY A 103 -18.444 -8.997 -0.799 1.00 2.96 H new ATOM 0 HA3 GLY A 103 -18.415 -7.486 0.089 1.00 2.96 H new ATOM 1528 N LYS A 104 -17.736 -7.784 -2.893 1.00 3.11 N ATOM 1529 CA LYS A 104 -17.438 -7.156 -4.185 1.00 3.88 C ATOM 1530 C LYS A 104 -15.999 -7.406 -4.649 1.00 3.74 C ATOM 1531 O LYS A 104 -15.780 -8.023 -5.685 1.00 5.26 O ATOM 1532 CB LYS A 104 -17.779 -5.655 -4.172 1.00 4.75 C ATOM 1533 CG LYS A 104 -19.244 -5.396 -3.789 1.00 4.82 C ATOM 1534 CD LYS A 104 -19.540 -3.890 -3.869 1.00 5.90 C ATOM 1535 CE LYS A 104 -20.920 -3.517 -3.306 1.00 6.62 C ATOM 1536 NZ LYS A 104 -22.034 -4.111 -4.076 1.00 8.23 N ATOM 0 H LYS A 104 -18.426 -8.529 -2.987 1.00 3.11 H new ATOM 0 HA LYS A 104 -18.083 -7.637 -4.920 1.00 3.88 H new ATOM 0 HB2 LYS A 104 -17.125 -5.142 -3.467 1.00 4.75 H new ATOM 0 HB3 LYS A 104 -17.582 -5.231 -5.157 1.00 4.75 H new ATOM 0 HG2 LYS A 104 -19.908 -5.943 -4.459 1.00 4.82 H new ATOM 0 HG3 LYS A 104 -19.437 -5.762 -2.780 1.00 4.82 H new ATOM 0 HD2 LYS A 104 -18.771 -3.345 -3.321 1.00 5.90 H new ATOM 0 HD3 LYS A 104 -19.479 -3.568 -4.909 1.00 5.90 H new ATOM 0 HE2 LYS A 104 -20.985 -3.846 -2.269 1.00 6.62 H new ATOM 0 HE3 LYS A 104 -21.025 -2.432 -3.303 1.00 6.62 H new ATOM 0 HZ1 LYS A 104 -22.940 -3.826 -3.652 1.00 8.23 H new ATOM 0 HZ2 LYS A 104 -21.992 -3.777 -5.060 1.00 8.23 H new ATOM 0 HZ3 LYS A 104 -21.954 -5.148 -4.058 1.00 8.23 H new ATOM 1550 N ARG A 105 -15.042 -6.914 -3.864 1.00 2.79 N ATOM 1551 CA ARG A 105 -13.605 -6.996 -4.054 1.00 3.37 C ATOM 1552 C ARG A 105 -12.801 -7.056 -2.756 1.00 3.10 C ATOM 1553 O ARG A 105 -11.583 -7.124 -2.869 1.00 4.17 O ATOM 1554 CB ARG A 105 -13.134 -5.820 -4.918 1.00 4.27 C ATOM 1555 CG ARG A 105 -13.395 -4.417 -4.343 1.00 5.13 C ATOM 1556 CD ARG A 105 -13.547 -3.501 -5.559 1.00 5.62 C ATOM 1557 NE ARG A 105 -13.720 -2.079 -5.237 1.00 6.61 N ATOM 1558 CZ ARG A 105 -14.542 -1.254 -5.911 1.00 6.73 C ATOM 1559 NH1 ARG A 105 -15.162 -1.634 -7.037 1.00 6.06 N ATOM 1560 NH2 ARG A 105 -14.729 -0.018 -5.446 1.00 8.09 N ATOM 0 H ARG A 105 -15.277 -6.407 -3.010 1.00 2.79 H new ATOM 0 HA ARG A 105 -13.416 -7.944 -4.558 1.00 3.37 H new ATOM 0 HB2 ARG A 105 -12.063 -5.927 -5.091 1.00 4.27 H new ATOM 0 HB3 ARG A 105 -13.622 -5.890 -5.890 1.00 4.27 H new ATOM 0 HG2 ARG A 105 -14.295 -4.406 -3.728 1.00 5.13 H new ATOM 0 HG3 ARG A 105 -12.571 -4.093 -3.708 1.00 5.13 H new ATOM 0 HD2 ARG A 105 -12.667 -3.612 -6.193 1.00 5.62 H new ATOM 0 HD3 ARG A 105 -14.405 -3.834 -6.143 1.00 5.62 H new ATOM 0 HE ARG A 105 -13.186 -1.694 -4.457 1.00 6.61 H new ATOM 0 HH11 ARG A 105 -15.017 -2.573 -7.407 1.00 6.06 H new ATOM 0 HH12 ARG A 105 -15.779 -0.984 -7.524 1.00 6.06 H new ATOM 0 HH21 ARG A 105 -14.253 0.284 -4.596 1.00 8.09 H new ATOM 0 HH22 ARG A 105 -15.348 0.625 -5.940 1.00 8.09 H new ATOM 1574 N HIS A 106 -13.428 -7.006 -1.565 1.00 2.42 N ATOM 1575 CA HIS A 106 -12.742 -6.742 -0.301 1.00 2.87 C ATOM 1576 C HIS A 106 -12.042 -5.392 -0.409 1.00 1.92 C ATOM 1577 O HIS A 106 -10.871 -5.302 -0.759 1.00 3.06 O ATOM 1578 CB HIS A 106 -11.796 -7.892 0.049 1.00 4.74 C ATOM 1579 CG HIS A 106 -11.059 -7.806 1.372 1.00 6.27 C ATOM 1580 ND1 HIS A 106 -11.574 -8.041 2.628 1.00 7.64 N ATOM 1581 CD2 HIS A 106 -9.697 -7.854 1.507 1.00 7.14 C ATOM 1582 CE1 HIS A 106 -10.551 -8.199 3.483 1.00 8.96 C ATOM 1583 NE2 HIS A 106 -9.377 -8.102 2.844 1.00 8.74 N ATOM 0 H HIS A 106 -14.432 -7.150 -1.460 1.00 2.42 H new ATOM 0 HA HIS A 106 -13.452 -6.687 0.524 1.00 2.87 H new ATOM 0 HB2 HIS A 106 -12.372 -8.817 0.043 1.00 4.74 H new ATOM 0 HB3 HIS A 106 -11.055 -7.973 -0.746 1.00 4.74 H new ATOM 0 HD1 HIS A 106 -12.564 -8.087 2.868 1.00 7.64 H new ATOM 0 HD2 HIS A 106 -8.984 -7.721 0.707 1.00 7.14 H new ATOM 0 HE1 HIS A 106 -10.659 -8.380 4.542 1.00 8.96 H new ATOM 1591 N ALA A 107 -12.782 -4.316 -0.146 1.00 1.20 N ATOM 1592 CA ALA A 107 -12.315 -2.954 -0.361 1.00 2.00 C ATOM 1593 C ALA A 107 -11.331 -2.501 0.732 1.00 1.65 C ATOM 1594 O ALA A 107 -11.455 -1.390 1.236 1.00 2.17 O ATOM 1595 CB ALA A 107 -13.546 -2.045 -0.449 1.00 4.00 C ATOM 0 H ALA A 107 -13.730 -4.369 0.225 1.00 1.20 H new ATOM 0 HA ALA A 107 -11.751 -2.898 -1.292 1.00 2.00 H new ATOM 0 HB1 ALA A 107 -13.227 -1.015 -0.610 1.00 4.00 H new ATOM 0 HB2 ALA A 107 -14.175 -2.364 -1.280 1.00 4.00 H new ATOM 0 HB3 ALA A 107 -14.112 -2.108 0.480 1.00 4.00 H new ATOM 1601 N VAL A 108 -10.360 -3.348 1.085 1.00 1.41 N ATOM 1602 CA VAL A 108 -9.411 -3.190 2.176 1.00 1.26 C ATOM 1603 C VAL A 108 -8.297 -4.229 1.985 1.00 1.18 C ATOM 1604 O VAL A 108 -8.499 -5.232 1.308 1.00 1.55 O ATOM 1605 CB VAL A 108 -10.081 -3.421 3.545 1.00 1.50 C ATOM 1606 CG1 VAL A 108 -10.794 -2.189 4.110 1.00 2.11 C ATOM 1607 CG2 VAL A 108 -11.048 -4.610 3.500 1.00 1.86 C ATOM 0 H VAL A 108 -10.211 -4.220 0.577 1.00 1.41 H new ATOM 0 HA VAL A 108 -9.018 -2.173 2.161 1.00 1.26 H new ATOM 0 HB VAL A 108 -9.259 -3.643 4.226 1.00 1.50 H new ATOM 0 HG11 VAL A 108 -11.238 -2.436 5.074 1.00 2.11 H new ATOM 0 HG12 VAL A 108 -10.075 -1.380 4.238 1.00 2.11 H new ATOM 0 HG13 VAL A 108 -11.577 -1.873 3.420 1.00 2.11 H new ATOM 0 HG21 VAL A 108 -11.504 -4.746 4.481 1.00 1.86 H new ATOM 0 HG22 VAL A 108 -11.827 -4.418 2.762 1.00 1.86 H new ATOM 0 HG23 VAL A 108 -10.502 -5.513 3.225 1.00 1.86 H new ATOM 1617 N ILE A 109 -7.146 -3.981 2.607 1.00 1.48 N ATOM 1618 CA ILE A 109 -5.985 -4.837 2.797 1.00 1.28 C ATOM 1619 C ILE A 109 -5.562 -4.579 4.244 1.00 1.19 C ATOM 1620 O ILE A 109 -6.005 -3.597 4.846 1.00 1.46 O ATOM 1621 CB ILE A 109 -4.867 -4.420 1.813 1.00 1.48 C ATOM 1622 CG1 ILE A 109 -5.221 -4.774 0.373 1.00 1.70 C ATOM 1623 CG2 ILE A 109 -3.481 -5.008 2.127 1.00 2.12 C ATOM 1624 CD1 ILE A 109 -4.667 -3.749 -0.612 1.00 2.50 C ATOM 0 H ILE A 109 -6.991 -3.070 3.038 1.00 1.48 H new ATOM 0 HA ILE A 109 -6.192 -5.891 2.613 1.00 1.28 H new ATOM 0 HB ILE A 109 -4.801 -3.339 1.940 1.00 1.48 H new ATOM 0 HG12 ILE A 109 -4.825 -5.761 0.133 1.00 1.70 H new ATOM 0 HG13 ILE A 109 -6.304 -4.831 0.268 1.00 1.70 H new ATOM 0 HG21 ILE A 109 -2.762 -4.661 1.385 1.00 2.12 H new ATOM 0 HG22 ILE A 109 -3.164 -4.684 3.118 1.00 2.12 H new ATOM 0 HG23 ILE A 109 -3.533 -6.096 2.101 1.00 2.12 H new ATOM 0 HD11 ILE A 109 -4.940 -4.036 -1.628 1.00 2.50 H new ATOM 0 HD12 ILE A 109 -5.084 -2.767 -0.388 1.00 2.50 H new ATOM 0 HD13 ILE A 109 -3.581 -3.711 -0.525 1.00 2.50 H new ATOM 1636 N SER A 110 -4.705 -5.424 4.816 1.00 1.00 N ATOM 1637 CA SER A 110 -4.122 -5.162 6.126 1.00 0.97 C ATOM 1638 C SER A 110 -2.691 -5.688 6.146 1.00 0.88 C ATOM 1639 O SER A 110 -2.450 -6.815 6.570 1.00 1.08 O ATOM 1640 CB SER A 110 -5.001 -5.779 7.218 1.00 1.09 C ATOM 1641 OG SER A 110 -6.318 -5.266 7.111 1.00 2.18 O ATOM 0 H SER A 110 -4.400 -6.298 4.389 1.00 1.00 H new ATOM 0 HA SER A 110 -4.081 -4.091 6.325 1.00 0.97 H new ATOM 0 HB2 SER A 110 -5.013 -6.864 7.120 1.00 1.09 H new ATOM 0 HB3 SER A 110 -4.590 -5.552 8.202 1.00 1.09 H new ATOM 0 HG SER A 110 -6.881 -5.662 7.809 1.00 2.18 H new ATOM 1647 N GLY A 111 -1.751 -4.883 5.646 1.00 0.75 N ATOM 1648 CA GLY A 111 -0.348 -5.267 5.565 1.00 0.71 C ATOM 1649 C GLY A 111 0.407 -4.826 6.818 1.00 0.65 C ATOM 1650 O GLY A 111 0.088 -3.786 7.393 1.00 0.77 O ATOM 0 H GLY A 111 -1.945 -3.948 5.287 1.00 0.75 H new ATOM 0 HA2 GLY A 111 -0.268 -6.348 5.448 1.00 0.71 H new ATOM 0 HA3 GLY A 111 0.107 -4.816 4.683 1.00 0.71 H new ATOM 1654 N SER A 112 1.423 -5.595 7.221 1.00 0.82 N ATOM 1655 CA SER A 112 2.482 -5.101 8.098 1.00 0.74 C ATOM 1656 C SER A 112 3.506 -4.377 7.216 1.00 0.64 C ATOM 1657 O SER A 112 3.514 -4.615 6.005 1.00 0.74 O ATOM 1658 CB SER A 112 3.106 -6.263 8.874 1.00 0.83 C ATOM 1659 OG SER A 112 2.091 -6.936 9.598 1.00 1.53 O ATOM 0 H SER A 112 1.532 -6.572 6.949 1.00 0.82 H new ATOM 0 HA SER A 112 2.092 -4.406 8.841 1.00 0.74 H new ATOM 0 HB2 SER A 112 3.598 -6.952 8.188 1.00 0.83 H new ATOM 0 HB3 SER A 112 3.871 -5.892 9.556 1.00 0.83 H new ATOM 0 HG SER A 112 2.485 -7.683 10.096 1.00 1.53 H new ATOM 1665 N VAL A 113 4.307 -3.455 7.765 1.00 0.57 N ATOM 1666 CA VAL A 113 5.261 -2.696 6.957 1.00 0.56 C ATOM 1667 C VAL A 113 6.657 -2.671 7.579 1.00 0.49 C ATOM 1668 O VAL A 113 6.813 -2.353 8.759 1.00 0.62 O ATOM 1669 CB VAL A 113 4.730 -1.287 6.653 1.00 0.66 C ATOM 1670 CG1 VAL A 113 3.265 -1.314 6.206 1.00 0.74 C ATOM 1671 CG2 VAL A 113 4.868 -0.328 7.833 1.00 0.98 C ATOM 0 H VAL A 113 4.312 -3.220 8.758 1.00 0.57 H new ATOM 0 HA VAL A 113 5.367 -3.215 6.004 1.00 0.56 H new ATOM 0 HB VAL A 113 5.354 -0.919 5.839 1.00 0.66 H new ATOM 0 HG11 VAL A 113 2.928 -0.298 6.001 1.00 0.74 H new ATOM 0 HG12 VAL A 113 3.171 -1.917 5.303 1.00 0.74 H new ATOM 0 HG13 VAL A 113 2.651 -1.747 6.996 1.00 0.74 H new ATOM 0 HG21 VAL A 113 4.475 0.650 7.555 1.00 0.98 H new ATOM 0 HG22 VAL A 113 4.308 -0.715 8.684 1.00 0.98 H new ATOM 0 HG23 VAL A 113 5.920 -0.233 8.104 1.00 0.98 H new ATOM 1681 N LEU A 114 7.667 -2.957 6.755 1.00 0.79 N ATOM 1682 CA LEU A 114 9.069 -3.013 7.131 1.00 0.99 C ATOM 1683 C LEU A 114 9.736 -1.720 6.697 1.00 1.12 C ATOM 1684 O LEU A 114 9.783 -1.400 5.515 1.00 1.28 O ATOM 1685 CB LEU A 114 9.698 -4.251 6.493 1.00 1.31 C ATOM 1686 CG LEU A 114 11.223 -4.418 6.560 1.00 1.03 C ATOM 1687 CD1 LEU A 114 11.947 -3.856 5.333 1.00 2.09 C ATOM 1688 CD2 LEU A 114 11.880 -3.986 7.869 1.00 2.37 C ATOM 0 H LEU A 114 7.517 -3.164 5.767 1.00 0.79 H new ATOM 0 HA LEU A 114 9.197 -3.103 8.210 1.00 0.99 H new ATOM 0 HB2 LEU A 114 9.248 -5.128 6.958 1.00 1.31 H new ATOM 0 HB3 LEU A 114 9.409 -4.265 5.442 1.00 1.31 H new ATOM 0 HG LEU A 114 11.352 -5.500 6.542 1.00 1.03 H new ATOM 0 HD11 LEU A 114 13.021 -4.006 5.444 1.00 2.09 H new ATOM 0 HD12 LEU A 114 11.599 -4.371 4.438 1.00 2.09 H new ATOM 0 HD13 LEU A 114 11.737 -2.790 5.243 1.00 2.09 H new ATOM 0 HD21 LEU A 114 12.956 -4.147 7.806 1.00 2.37 H new ATOM 0 HD22 LEU A 114 11.681 -2.929 8.044 1.00 2.37 H new ATOM 0 HD23 LEU A 114 11.472 -4.573 8.692 1.00 2.37 H new ATOM 1700 N TYR A 115 10.258 -0.992 7.677 1.00 1.21 N ATOM 1701 CA TYR A 115 11.036 0.222 7.496 1.00 1.46 C ATOM 1702 C TYR A 115 12.502 -0.193 7.441 1.00 1.36 C ATOM 1703 O TYR A 115 13.183 -0.193 8.465 1.00 1.40 O ATOM 1704 CB TYR A 115 10.759 1.291 8.576 1.00 1.72 C ATOM 1705 CG TYR A 115 9.821 0.951 9.715 1.00 2.48 C ATOM 1706 CD1 TYR A 115 8.454 0.744 9.456 1.00 4.06 C ATOM 1707 CD2 TYR A 115 10.258 1.128 11.042 1.00 3.00 C ATOM 1708 CE1 TYR A 115 7.524 0.776 10.508 1.00 5.52 C ATOM 1709 CE2 TYR A 115 9.319 1.254 12.077 1.00 4.51 C ATOM 1710 CZ TYR A 115 7.953 1.099 11.803 1.00 5.61 C ATOM 1711 OH TYR A 115 7.047 1.462 12.749 1.00 7.09 O ATOM 0 H TYR A 115 10.145 -1.244 8.659 1.00 1.21 H new ATOM 0 HA TYR A 115 10.745 0.712 6.567 1.00 1.46 H new ATOM 0 HB2 TYR A 115 11.717 1.576 9.011 1.00 1.72 H new ATOM 0 HB3 TYR A 115 10.362 2.173 8.073 1.00 1.72 H new ATOM 0 HD1 TYR A 115 8.119 0.560 8.446 1.00 4.06 H new ATOM 0 HD2 TYR A 115 11.314 1.167 11.263 1.00 3.00 H new ATOM 0 HE1 TYR A 115 6.484 0.553 10.320 1.00 5.52 H new ATOM 0 HE2 TYR A 115 9.648 1.470 13.083 1.00 4.51 H new ATOM 0 HH TYR A 115 6.187 1.031 12.561 1.00 7.09 H new ATOM 1721 N ASN A 116 12.962 -0.586 6.252 1.00 1.32 N ATOM 1722 CA ASN A 116 14.332 -0.947 5.891 1.00 1.31 C ATOM 1723 C ASN A 116 14.900 -2.167 6.631 1.00 1.13 C ATOM 1724 O ASN A 116 15.300 -3.138 5.997 1.00 1.20 O ATOM 1725 CB ASN A 116 15.244 0.274 6.015 1.00 1.51 C ATOM 1726 CG ASN A 116 16.597 0.027 5.350 1.00 2.18 C ATOM 1727 OD1 ASN A 116 16.674 -0.149 4.139 1.00 3.23 O ATOM 1728 ND2 ASN A 116 17.680 0.015 6.119 1.00 2.93 N ATOM 0 H ASN A 116 12.334 -0.666 5.452 1.00 1.32 H new ATOM 0 HA ASN A 116 14.294 -1.270 4.851 1.00 1.31 H new ATOM 0 HB2 ASN A 116 14.763 1.138 5.556 1.00 1.51 H new ATOM 0 HB3 ASN A 116 15.392 0.514 7.068 1.00 1.51 H new ATOM 0 HD21 ASN A 116 18.598 -0.143 5.704 1.00 2.93 H new ATOM 0 HD22 ASN A 116 17.593 0.164 7.124 1.00 2.93 H new ATOM 1735 N GLN A 117 14.961 -2.116 7.963 1.00 1.06 N ATOM 1736 CA GLN A 117 15.483 -3.166 8.831 1.00 1.06 C ATOM 1737 C GLN A 117 14.659 -3.328 10.115 1.00 1.04 C ATOM 1738 O GLN A 117 15.093 -4.029 11.025 1.00 1.48 O ATOM 1739 CB GLN A 117 16.969 -2.900 9.140 1.00 1.54 C ATOM 1740 CG GLN A 117 17.247 -1.764 10.144 1.00 1.27 C ATOM 1741 CD GLN A 117 16.686 -0.423 9.689 1.00 1.53 C ATOM 1742 OE1 GLN A 117 17.299 0.268 8.885 1.00 2.19 O ATOM 1743 NE2 GLN A 117 15.495 -0.058 10.154 1.00 2.64 N ATOM 0 H GLN A 117 14.633 -1.304 8.486 1.00 1.06 H new ATOM 0 HA GLN A 117 15.399 -4.113 8.298 1.00 1.06 H new ATOM 0 HB2 GLN A 117 17.411 -3.818 9.526 1.00 1.54 H new ATOM 0 HB3 GLN A 117 17.480 -2.668 8.206 1.00 1.54 H new ATOM 0 HG2 GLN A 117 16.814 -2.025 11.110 1.00 1.27 H new ATOM 0 HG3 GLN A 117 18.323 -1.671 10.292 1.00 1.27 H new ATOM 0 HE21 GLN A 117 15.005 -0.652 10.823 1.00 2.64 H new ATOM 0 HE22 GLN A 117 15.071 0.816 9.841 1.00 2.64 H new ATOM 1752 N ALA A 118 13.496 -2.673 10.227 1.00 1.07 N ATOM 1753 CA ALA A 118 12.642 -2.759 11.405 1.00 1.12 C ATOM 1754 C ALA A 118 11.186 -2.758 10.960 1.00 1.01 C ATOM 1755 O ALA A 118 10.773 -1.846 10.254 1.00 1.25 O ATOM 1756 CB ALA A 118 12.908 -1.569 12.329 1.00 1.36 C ATOM 0 H ALA A 118 13.125 -2.067 9.495 1.00 1.07 H new ATOM 0 HA ALA A 118 12.858 -3.678 11.950 1.00 1.12 H new ATOM 0 HB1 ALA A 118 12.266 -1.640 13.207 1.00 1.36 H new ATOM 0 HB2 ALA A 118 13.952 -1.577 12.641 1.00 1.36 H new ATOM 0 HB3 ALA A 118 12.695 -0.641 11.798 1.00 1.36 H new ATOM 1762 N GLU A 119 10.413 -3.770 11.355 1.00 0.97 N ATOM 1763 CA GLU A 119 8.988 -3.863 11.085 1.00 1.02 C ATOM 1764 C GLU A 119 8.238 -3.714 12.400 1.00 1.10 C ATOM 1765 O GLU A 119 8.192 -4.651 13.197 1.00 1.68 O ATOM 1766 CB GLU A 119 8.670 -5.198 10.391 1.00 1.50 C ATOM 1767 CG GLU A 119 7.161 -5.401 10.188 1.00 1.65 C ATOM 1768 CD GLU A 119 6.863 -6.330 9.019 1.00 2.66 C ATOM 1769 OE1 GLU A 119 7.532 -7.381 8.946 1.00 3.16 O ATOM 1770 OE2 GLU A 119 5.966 -5.972 8.227 1.00 3.69 O ATOM 0 H GLU A 119 10.774 -4.564 11.884 1.00 0.97 H new ATOM 0 HA GLU A 119 8.672 -3.067 10.410 1.00 1.02 H new ATOM 0 HB2 GLU A 119 9.173 -5.232 9.424 1.00 1.50 H new ATOM 0 HB3 GLU A 119 9.069 -6.019 10.987 1.00 1.50 H new ATOM 0 HG2 GLU A 119 6.725 -5.812 11.098 1.00 1.65 H new ATOM 0 HG3 GLU A 119 6.685 -4.436 10.014 1.00 1.65 H new ATOM 1777 N LYS A 120 7.639 -2.543 12.643 1.00 0.82 N ATOM 1778 CA LYS A 120 6.682 -2.380 13.700 1.00 1.07 C ATOM 1779 C LYS A 120 5.626 -1.357 13.287 1.00 1.10 C ATOM 1780 O LYS A 120 5.397 -0.341 13.944 1.00 1.50 O ATOM 1781 CB LYS A 120 7.417 -2.024 14.986 1.00 1.40 C ATOM 1782 CG LYS A 120 6.837 -2.861 16.116 1.00 1.74 C ATOM 1783 CD LYS A 120 5.315 -2.729 16.223 1.00 1.92 C ATOM 1784 CE LYS A 120 4.467 -3.802 15.507 1.00 2.65 C ATOM 1785 NZ LYS A 120 3.238 -4.152 16.252 1.00 3.32 N ATOM 0 H LYS A 120 7.815 -1.695 12.105 1.00 0.82 H new ATOM 0 HA LYS A 120 6.144 -3.308 13.891 1.00 1.07 H new ATOM 0 HB2 LYS A 120 8.484 -2.218 14.879 1.00 1.40 H new ATOM 0 HB3 LYS A 120 7.306 -0.962 15.205 1.00 1.40 H new ATOM 0 HG2 LYS A 120 7.097 -3.908 15.959 1.00 1.74 H new ATOM 0 HG3 LYS A 120 7.292 -2.557 17.059 1.00 1.74 H new ATOM 0 HD2 LYS A 120 5.048 -2.735 17.280 1.00 1.92 H new ATOM 0 HD3 LYS A 120 5.031 -1.754 15.828 1.00 1.92 H new ATOM 0 HE2 LYS A 120 4.195 -3.441 14.515 1.00 2.65 H new ATOM 0 HE3 LYS A 120 5.069 -4.700 15.366 1.00 2.65 H new ATOM 0 HZ1 LYS A 120 2.708 -4.876 15.726 1.00 3.32 H new ATOM 0 HZ2 LYS A 120 3.494 -4.523 17.189 1.00 3.32 H new ATOM 0 HZ3 LYS A 120 2.647 -3.304 16.365 1.00 3.32 H new ATOM 1799 N GLY A 121 4.985 -1.603 12.157 1.00 0.81 N ATOM 1800 CA GLY A 121 3.941 -0.743 11.640 1.00 0.80 C ATOM 1801 C GLY A 121 3.039 -1.531 10.714 1.00 0.51 C ATOM 1802 O GLY A 121 3.356 -2.673 10.372 1.00 0.62 O ATOM 0 H GLY A 121 5.179 -2.414 11.569 1.00 0.81 H new ATOM 0 HA2 GLY A 121 3.359 -0.327 12.463 1.00 0.80 H new ATOM 0 HA3 GLY A 121 4.382 0.098 11.105 1.00 0.80 H new ATOM 1806 N SER A 122 1.937 -0.909 10.299 1.00 0.49 N ATOM 1807 CA SER A 122 0.959 -1.537 9.436 1.00 0.53 C ATOM 1808 C SER A 122 0.369 -0.526 8.458 1.00 0.57 C ATOM 1809 O SER A 122 0.602 0.679 8.576 1.00 0.76 O ATOM 1810 CB SER A 122 -0.094 -2.247 10.292 1.00 0.63 C ATOM 1811 OG SER A 122 -0.733 -1.351 11.176 1.00 0.79 O ATOM 0 H SER A 122 1.703 0.050 10.558 1.00 0.49 H new ATOM 0 HA SER A 122 1.438 -2.297 8.819 1.00 0.53 H new ATOM 0 HB2 SER A 122 -0.837 -2.713 9.644 1.00 0.63 H new ATOM 0 HB3 SER A 122 0.378 -3.047 10.862 1.00 0.63 H new ATOM 0 HG SER A 122 -0.096 -1.056 11.860 1.00 0.79 H new ATOM 1817 N TYR A 123 -0.353 -1.036 7.461 1.00 0.57 N ATOM 1818 CA TYR A 123 -0.953 -0.269 6.388 1.00 0.62 C ATOM 1819 C TYR A 123 -2.295 -0.909 6.053 1.00 0.63 C ATOM 1820 O TYR A 123 -2.379 -2.128 5.888 1.00 0.69 O ATOM 1821 CB TYR A 123 0.021 -0.229 5.195 1.00 0.72 C ATOM 1822 CG TYR A 123 -0.553 -0.288 3.790 1.00 0.73 C ATOM 1823 CD1 TYR A 123 -0.867 -1.547 3.238 1.00 2.04 C ATOM 1824 CD2 TYR A 123 -0.472 0.835 2.943 1.00 2.25 C ATOM 1825 CE1 TYR A 123 -1.091 -1.683 1.860 1.00 2.43 C ATOM 1826 CE2 TYR A 123 -0.644 0.685 1.556 1.00 2.46 C ATOM 1827 CZ TYR A 123 -0.936 -0.575 1.012 1.00 1.80 C ATOM 1828 OH TYR A 123 -0.978 -0.733 -0.339 1.00 2.34 O ATOM 0 H TYR A 123 -0.539 -2.036 7.382 1.00 0.57 H new ATOM 0 HA TYR A 123 -1.139 0.767 6.673 1.00 0.62 H new ATOM 0 HB2 TYR A 123 0.607 0.687 5.276 1.00 0.72 H new ATOM 0 HB3 TYR A 123 0.715 -1.062 5.305 1.00 0.72 H new ATOM 0 HD1 TYR A 123 -0.935 -2.412 3.881 1.00 2.04 H new ATOM 0 HD2 TYR A 123 -0.278 1.812 3.360 1.00 2.25 H new ATOM 0 HE1 TYR A 123 -1.382 -2.639 1.452 1.00 2.43 H new ATOM 0 HE2 TYR A 123 -0.551 1.543 0.907 1.00 2.46 H new ATOM 0 HH TYR A 123 -0.708 -1.646 -0.570 1.00 2.34 H new ATOM 1838 N SER A 124 -3.329 -0.074 5.958 1.00 0.84 N ATOM 1839 CA SER A 124 -4.689 -0.475 5.664 1.00 1.07 C ATOM 1840 C SER A 124 -5.110 0.308 4.430 1.00 1.15 C ATOM 1841 O SER A 124 -5.213 1.533 4.500 1.00 1.26 O ATOM 1842 CB SER A 124 -5.584 -0.162 6.866 1.00 1.31 C ATOM 1843 OG SER A 124 -5.097 -0.843 8.007 1.00 2.39 O ATOM 0 H SER A 124 -3.231 0.933 6.089 1.00 0.84 H new ATOM 0 HA SER A 124 -4.773 -1.545 5.474 1.00 1.07 H new ATOM 0 HB2 SER A 124 -5.601 0.912 7.050 1.00 1.31 H new ATOM 0 HB3 SER A 124 -6.610 -0.466 6.658 1.00 1.31 H new ATOM 0 HG SER A 124 -5.669 -0.641 8.777 1.00 2.39 H new ATOM 1849 N LEU A 125 -5.281 -0.381 3.300 1.00 1.16 N ATOM 1850 CA LEU A 125 -5.490 0.231 1.992 1.00 1.23 C ATOM 1851 C LEU A 125 -6.589 -0.522 1.259 1.00 1.25 C ATOM 1852 O LEU A 125 -6.637 -1.739 1.333 1.00 1.31 O ATOM 1853 CB LEU A 125 -4.148 0.200 1.253 1.00 1.23 C ATOM 1854 CG LEU A 125 -4.093 0.719 -0.193 1.00 1.28 C ATOM 1855 CD1 LEU A 125 -4.420 -0.341 -1.244 1.00 1.27 C ATOM 1856 CD2 LEU A 125 -4.847 2.013 -0.451 1.00 1.36 C ATOM 0 H LEU A 125 -5.278 -1.401 3.271 1.00 1.16 H new ATOM 0 HA LEU A 125 -5.818 1.268 2.067 1.00 1.23 H new ATOM 0 HB2 LEU A 125 -3.434 0.778 1.840 1.00 1.23 H new ATOM 0 HB3 LEU A 125 -3.796 -0.832 1.248 1.00 1.23 H new ATOM 0 HG LEU A 125 -3.040 0.973 -0.310 1.00 1.28 H new ATOM 0 HD11 LEU A 125 -4.360 0.102 -2.238 1.00 1.27 H new ATOM 0 HD12 LEU A 125 -3.706 -1.161 -1.168 1.00 1.27 H new ATOM 0 HD13 LEU A 125 -5.428 -0.721 -1.076 1.00 1.27 H new ATOM 0 HD21 LEU A 125 -4.744 2.291 -1.500 1.00 1.36 H new ATOM 0 HD22 LEU A 125 -5.902 1.873 -0.214 1.00 1.36 H new ATOM 0 HD23 LEU A 125 -4.436 2.805 0.176 1.00 1.36 H new ATOM 1868 N GLY A 126 -7.479 0.191 0.577 1.00 1.24 N ATOM 1869 CA GLY A 126 -8.616 -0.354 -0.154 1.00 1.24 C ATOM 1870 C GLY A 126 -8.642 0.174 -1.584 1.00 1.33 C ATOM 1871 O GLY A 126 -7.961 1.149 -1.903 1.00 1.55 O ATOM 0 H GLY A 126 -7.425 1.208 0.516 1.00 1.24 H new ATOM 0 HA2 GLY A 126 -8.560 -1.443 -0.164 1.00 1.24 H new ATOM 0 HA3 GLY A 126 -9.543 -0.087 0.354 1.00 1.24 H new ATOM 1875 N ILE A 127 -9.400 -0.507 -2.449 1.00 1.36 N ATOM 1876 CA ILE A 127 -9.221 -0.494 -3.898 1.00 1.12 C ATOM 1877 C ILE A 127 -10.516 -0.121 -4.624 1.00 0.82 C ATOM 1878 O ILE A 127 -11.603 -0.564 -4.228 1.00 0.96 O ATOM 1879 CB ILE A 127 -8.702 -1.884 -4.312 1.00 1.52 C ATOM 1880 CG1 ILE A 127 -8.249 -1.901 -5.779 1.00 1.55 C ATOM 1881 CG2 ILE A 127 -9.736 -2.996 -4.060 1.00 1.95 C ATOM 1882 CD1 ILE A 127 -7.390 -3.136 -6.044 1.00 2.97 C ATOM 0 H ILE A 127 -10.175 -1.098 -2.149 1.00 1.36 H new ATOM 0 HA ILE A 127 -8.498 0.270 -4.183 1.00 1.12 H new ATOM 0 HB ILE A 127 -7.838 -2.088 -3.679 1.00 1.52 H new ATOM 0 HG12 ILE A 127 -9.118 -1.904 -6.437 1.00 1.55 H new ATOM 0 HG13 ILE A 127 -7.682 -0.998 -6.004 1.00 1.55 H new ATOM 0 HG21 ILE A 127 -9.321 -3.955 -4.369 1.00 1.95 H new ATOM 0 HG22 ILE A 127 -9.981 -3.031 -2.998 1.00 1.95 H new ATOM 0 HG23 ILE A 127 -10.639 -2.790 -4.634 1.00 1.95 H new ATOM 0 HD11 ILE A 127 -7.072 -3.141 -7.087 1.00 2.97 H new ATOM 0 HD12 ILE A 127 -6.513 -3.115 -5.397 1.00 2.97 H new ATOM 0 HD13 ILE A 127 -7.971 -4.035 -5.837 1.00 2.97 H new ATOM 1894 N PHE A 128 -10.413 0.683 -5.694 1.00 0.67 N ATOM 1895 CA PHE A 128 -11.581 1.152 -6.420 1.00 0.70 C ATOM 1896 C PHE A 128 -11.372 1.235 -7.929 1.00 1.10 C ATOM 1897 O PHE A 128 -10.400 1.823 -8.398 1.00 1.53 O ATOM 1898 CB PHE A 128 -12.028 2.507 -5.842 1.00 1.51 C ATOM 1899 CG PHE A 128 -13.517 2.782 -5.940 1.00 2.28 C ATOM 1900 CD1 PHE A 128 -14.125 2.967 -7.197 1.00 3.27 C ATOM 1901 CD2 PHE A 128 -14.299 2.873 -4.772 1.00 3.26 C ATOM 1902 CE1 PHE A 128 -15.517 3.119 -7.293 1.00 4.28 C ATOM 1903 CE2 PHE A 128 -15.693 3.035 -4.868 1.00 4.20 C ATOM 1904 CZ PHE A 128 -16.306 3.132 -6.129 1.00 4.46 C ATOM 0 H PHE A 128 -9.525 1.017 -6.069 1.00 0.67 H new ATOM 0 HA PHE A 128 -12.369 0.411 -6.282 1.00 0.70 H new ATOM 0 HB2 PHE A 128 -11.733 2.554 -4.794 1.00 1.51 H new ATOM 0 HB3 PHE A 128 -11.491 3.302 -6.360 1.00 1.51 H new ATOM 0 HD1 PHE A 128 -13.518 2.992 -8.090 1.00 3.27 H new ATOM 0 HD2 PHE A 128 -13.828 2.818 -3.802 1.00 3.26 H new ATOM 0 HE1 PHE A 128 -15.983 3.226 -8.262 1.00 4.28 H new ATOM 0 HE2 PHE A 128 -16.293 3.085 -3.971 1.00 4.20 H new ATOM 0 HZ PHE A 128 -17.380 3.216 -6.204 1.00 4.46 H new ATOM 1914 N GLY A 129 -12.340 0.696 -8.683 1.00 1.83 N ATOM 1915 CA GLY A 129 -12.608 1.072 -10.067 1.00 2.62 C ATOM 1916 C GLY A 129 -12.361 -0.054 -11.067 1.00 2.63 C ATOM 1917 O GLY A 129 -12.261 0.196 -12.266 1.00 3.78 O ATOM 0 H GLY A 129 -12.968 -0.028 -8.335 1.00 1.83 H new ATOM 0 HA2 GLY A 129 -13.644 1.400 -10.151 1.00 2.62 H new ATOM 0 HA3 GLY A 129 -11.982 1.924 -10.331 1.00 2.62 H new ATOM 1921 N GLY A 130 -12.250 -1.290 -10.587 1.00 2.14 N ATOM 1922 CA GLY A 130 -11.911 -2.423 -11.422 1.00 3.10 C ATOM 1923 C GLY A 130 -10.402 -2.488 -11.360 1.00 3.33 C ATOM 1924 O GLY A 130 -9.850 -2.815 -10.315 1.00 4.36 O ATOM 0 H GLY A 130 -12.394 -1.527 -9.606 1.00 2.14 H new ATOM 0 HA2 GLY A 130 -12.365 -3.342 -11.051 1.00 3.10 H new ATOM 0 HA3 GLY A 130 -12.262 -2.284 -12.444 1.00 3.10 H new ATOM 1928 N LYS A 131 -9.726 -2.048 -12.420 1.00 3.07 N ATOM 1929 CA LYS A 131 -8.272 -2.031 -12.502 1.00 3.28 C ATOM 1930 C LYS A 131 -7.650 -0.901 -11.655 1.00 2.52 C ATOM 1931 O LYS A 131 -6.842 -0.125 -12.158 1.00 2.65 O ATOM 1932 CB LYS A 131 -7.878 -2.005 -13.991 1.00 4.02 C ATOM 1933 CG LYS A 131 -8.218 -0.672 -14.671 1.00 3.71 C ATOM 1934 CD LYS A 131 -8.476 -0.808 -16.176 1.00 3.91 C ATOM 1935 CE LYS A 131 -8.790 0.586 -16.750 1.00 3.86 C ATOM 1936 NZ LYS A 131 -8.985 0.567 -18.214 1.00 4.48 N ATOM 0 H LYS A 131 -10.183 -1.688 -13.258 1.00 3.07 H new ATOM 0 HA LYS A 131 -7.856 -2.936 -12.059 1.00 3.28 H new ATOM 0 HB2 LYS A 131 -6.808 -2.192 -14.083 1.00 4.02 H new ATOM 0 HB3 LYS A 131 -8.389 -2.815 -14.512 1.00 4.02 H new ATOM 0 HG2 LYS A 131 -9.100 -0.244 -14.195 1.00 3.71 H new ATOM 0 HG3 LYS A 131 -7.398 0.029 -14.512 1.00 3.71 H new ATOM 0 HD2 LYS A 131 -7.604 -1.233 -16.672 1.00 3.91 H new ATOM 0 HD3 LYS A 131 -9.309 -1.488 -16.357 1.00 3.91 H new ATOM 0 HE2 LYS A 131 -9.688 0.977 -16.273 1.00 3.86 H new ATOM 0 HE3 LYS A 131 -7.976 1.268 -16.504 1.00 3.86 H new ATOM 0 HZ1 LYS A 131 -9.193 1.529 -18.549 1.00 4.48 H new ATOM 0 HZ2 LYS A 131 -8.120 0.220 -18.675 1.00 4.48 H new ATOM 0 HZ3 LYS A 131 -9.779 -0.061 -18.450 1.00 4.48 H new ATOM 1950 N ALA A 132 -8.022 -0.802 -10.373 1.00 2.00 N ATOM 1951 CA ALA A 132 -7.421 0.060 -9.366 1.00 1.71 C ATOM 1952 C ALA A 132 -7.306 1.483 -9.896 1.00 1.49 C ATOM 1953 O ALA A 132 -6.220 2.037 -10.018 1.00 2.21 O ATOM 1954 CB ALA A 132 -6.075 -0.524 -8.937 1.00 2.44 C ATOM 0 H ALA A 132 -8.793 -1.354 -9.997 1.00 2.00 H new ATOM 0 HA ALA A 132 -8.055 0.106 -8.480 1.00 1.71 H new ATOM 0 HB1 ALA A 132 -5.623 0.120 -8.183 1.00 2.44 H new ATOM 0 HB2 ALA A 132 -6.227 -1.520 -8.520 1.00 2.44 H new ATOM 0 HB3 ALA A 132 -5.414 -0.589 -9.802 1.00 2.44 H new ATOM 1960 N GLN A 133 -8.450 2.071 -10.234 1.00 0.80 N ATOM 1961 CA GLN A 133 -8.514 3.416 -10.770 1.00 0.80 C ATOM 1962 C GLN A 133 -8.160 4.420 -9.685 1.00 0.79 C ATOM 1963 O GLN A 133 -7.513 5.423 -9.982 1.00 1.14 O ATOM 1964 CB GLN A 133 -9.871 3.685 -11.426 1.00 1.09 C ATOM 1965 CG GLN A 133 -10.186 2.652 -12.520 1.00 1.68 C ATOM 1966 CD GLN A 133 -9.174 2.682 -13.663 1.00 2.98 C ATOM 1967 OE1 GLN A 133 -8.001 2.086 -13.474 1.00 3.47 O flip ATOM 1968 NE2 GLN A 133 -9.444 3.219 -14.732 1.00 4.20 N flip ATOM 0 H GLN A 133 -9.360 1.621 -10.141 1.00 0.80 H new ATOM 0 HA GLN A 133 -7.776 3.527 -11.564 1.00 0.80 H new ATOM 0 HB2 GLN A 133 -10.653 3.662 -10.667 1.00 1.09 H new ATOM 0 HB3 GLN A 133 -9.875 4.686 -11.858 1.00 1.09 H new ATOM 0 HG2 GLN A 133 -10.202 1.655 -12.080 1.00 1.68 H new ATOM 0 HG3 GLN A 133 -11.183 2.841 -12.917 1.00 1.68 H new ATOM 0 HE21 GLN A 133 -10.349 3.672 -14.861 1.00 4.20 H new ATOM 0 HE22 GLN A 133 -8.764 3.212 -15.492 1.00 4.20 H new ATOM 1977 N GLU A 134 -8.522 4.094 -8.442 1.00 0.70 N ATOM 1978 CA GLU A 134 -8.087 4.764 -7.240 1.00 0.80 C ATOM 1979 C GLU A 134 -7.825 3.707 -6.167 1.00 0.72 C ATOM 1980 O GLU A 134 -8.433 2.633 -6.201 1.00 1.04 O ATOM 1981 CB GLU A 134 -9.148 5.788 -6.810 1.00 1.06 C ATOM 1982 CG GLU A 134 -9.686 6.595 -8.003 1.00 1.31 C ATOM 1983 CD GLU A 134 -10.529 7.773 -7.536 1.00 1.79 C ATOM 1984 OE1 GLU A 134 -10.135 8.914 -7.861 1.00 2.08 O ATOM 1985 OE2 GLU A 134 -11.540 7.502 -6.856 1.00 3.07 O ATOM 0 H GLU A 134 -9.156 3.318 -8.250 1.00 0.70 H new ATOM 0 HA GLU A 134 -7.162 5.315 -7.408 1.00 0.80 H new ATOM 0 HB2 GLU A 134 -9.973 5.271 -6.320 1.00 1.06 H new ATOM 0 HB3 GLU A 134 -8.718 6.469 -6.076 1.00 1.06 H new ATOM 0 HG2 GLU A 134 -8.853 6.957 -8.606 1.00 1.31 H new ATOM 0 HG3 GLU A 134 -10.285 5.947 -8.643 1.00 1.31 H new ATOM 1992 N VAL A 135 -6.920 4.001 -5.227 1.00 0.85 N ATOM 1993 CA VAL A 135 -6.742 3.219 -4.008 1.00 0.89 C ATOM 1994 C VAL A 135 -6.633 4.206 -2.839 1.00 0.95 C ATOM 1995 O VAL A 135 -6.056 5.278 -3.015 1.00 1.29 O ATOM 1996 CB VAL A 135 -5.581 2.191 -4.101 1.00 0.90 C ATOM 1997 CG1 VAL A 135 -5.639 1.338 -5.376 1.00 1.00 C ATOM 1998 CG2 VAL A 135 -4.142 2.720 -3.984 1.00 0.98 C ATOM 0 H VAL A 135 -6.286 4.797 -5.296 1.00 0.85 H new ATOM 0 HA VAL A 135 -7.607 2.576 -3.843 1.00 0.89 H new ATOM 0 HB VAL A 135 -5.776 1.608 -3.201 1.00 0.90 H new ATOM 0 HG11 VAL A 135 -4.803 0.639 -5.384 1.00 1.00 H new ATOM 0 HG12 VAL A 135 -6.577 0.783 -5.400 1.00 1.00 H new ATOM 0 HG13 VAL A 135 -5.579 1.986 -6.250 1.00 1.00 H new ATOM 0 HG21 VAL A 135 -3.441 1.889 -4.067 1.00 0.98 H new ATOM 0 HG22 VAL A 135 -3.952 3.437 -4.783 1.00 0.98 H new ATOM 0 HG23 VAL A 135 -4.012 3.209 -3.019 1.00 0.98 H new ATOM 2008 N ALA A 136 -7.223 3.893 -1.681 1.00 0.95 N ATOM 2009 CA ALA A 136 -7.335 4.813 -0.546 1.00 1.02 C ATOM 2010 C ALA A 136 -7.028 4.074 0.757 1.00 1.15 C ATOM 2011 O ALA A 136 -7.563 2.986 0.972 1.00 1.34 O ATOM 2012 CB ALA A 136 -8.743 5.411 -0.513 1.00 1.15 C ATOM 0 H ALA A 136 -7.642 2.980 -1.504 1.00 0.95 H new ATOM 0 HA ALA A 136 -6.613 5.622 -0.657 1.00 1.02 H new ATOM 0 HB1 ALA A 136 -8.828 6.096 0.331 1.00 1.15 H new ATOM 0 HB2 ALA A 136 -8.930 5.953 -1.440 1.00 1.15 H new ATOM 0 HB3 ALA A 136 -9.476 4.611 -0.406 1.00 1.15 H new ATOM 2018 N GLY A 137 -6.115 4.604 1.579 1.00 1.08 N ATOM 2019 CA GLY A 137 -5.620 3.919 2.766 1.00 1.17 C ATOM 2020 C GLY A 137 -5.012 4.855 3.803 1.00 1.11 C ATOM 2021 O GLY A 137 -4.875 6.058 3.572 1.00 1.09 O ATOM 0 H GLY A 137 -5.700 5.525 1.434 1.00 1.08 H new ATOM 0 HA2 GLY A 137 -6.440 3.366 3.224 1.00 1.17 H new ATOM 0 HA3 GLY A 137 -4.870 3.187 2.466 1.00 1.17 H new ATOM 2025 N SER A 138 -4.573 4.258 4.914 1.00 1.11 N ATOM 2026 CA SER A 138 -3.735 4.905 5.908 1.00 1.08 C ATOM 2027 C SER A 138 -2.618 3.931 6.281 1.00 0.94 C ATOM 2028 O SER A 138 -2.894 2.736 6.418 1.00 1.00 O ATOM 2029 CB SER A 138 -4.568 5.257 7.144 1.00 1.23 C ATOM 2030 OG SER A 138 -5.652 6.093 6.784 1.00 1.69 O ATOM 0 H SER A 138 -4.799 3.291 5.146 1.00 1.11 H new ATOM 0 HA SER A 138 -3.313 5.828 5.511 1.00 1.08 H new ATOM 0 HB2 SER A 138 -4.942 4.346 7.610 1.00 1.23 H new ATOM 0 HB3 SER A 138 -3.942 5.759 7.882 1.00 1.23 H new ATOM 0 HG SER A 138 -6.177 6.309 7.582 1.00 1.69 H new ATOM 2036 N ALA A 139 -1.385 4.422 6.454 1.00 0.88 N ATOM 2037 CA ALA A 139 -0.305 3.652 7.071 1.00 0.79 C ATOM 2038 C ALA A 139 0.138 4.247 8.409 1.00 0.93 C ATOM 2039 O ALA A 139 0.296 5.465 8.537 1.00 1.26 O ATOM 2040 CB ALA A 139 0.863 3.440 6.102 1.00 0.68 C ATOM 0 H ALA A 139 -1.111 5.363 6.170 1.00 0.88 H new ATOM 0 HA ALA A 139 -0.704 2.664 7.299 1.00 0.79 H new ATOM 0 HB1 ALA A 139 1.646 2.864 6.596 1.00 0.68 H new ATOM 0 HB2 ALA A 139 0.513 2.898 5.224 1.00 0.68 H new ATOM 0 HB3 ALA A 139 1.262 4.407 5.796 1.00 0.68 H new ATOM 2046 N GLU A 140 0.334 3.359 9.393 1.00 0.80 N ATOM 2047 CA GLU A 140 0.784 3.673 10.748 1.00 0.81 C ATOM 2048 C GLU A 140 2.165 3.065 11.005 1.00 0.86 C ATOM 2049 O GLU A 140 2.405 2.167 11.812 1.00 1.49 O ATOM 2050 CB GLU A 140 -0.266 3.291 11.782 1.00 0.84 C ATOM 2051 CG GLU A 140 -0.500 1.782 11.820 1.00 1.68 C ATOM 2052 CD GLU A 140 0.115 1.101 13.037 1.00 2.65 C ATOM 2053 OE1 GLU A 140 0.115 1.691 14.143 1.00 2.80 O ATOM 2054 OE2 GLU A 140 0.792 0.066 12.836 1.00 4.17 O ATOM 0 H GLU A 140 0.175 2.361 9.256 1.00 0.80 H new ATOM 0 HA GLU A 140 0.903 4.752 10.848 1.00 0.81 H new ATOM 0 HB2 GLU A 140 0.051 3.635 12.767 1.00 0.84 H new ATOM 0 HB3 GLU A 140 -1.203 3.799 11.554 1.00 0.84 H new ATOM 0 HG2 GLU A 140 -1.573 1.588 11.809 1.00 1.68 H new ATOM 0 HG3 GLU A 140 -0.086 1.335 10.916 1.00 1.68 H new ATOM 2061 N VAL A 141 3.102 3.638 10.288 1.00 0.74 N ATOM 2062 CA VAL A 141 4.530 3.559 10.564 1.00 0.77 C ATOM 2063 C VAL A 141 4.818 4.310 11.873 1.00 0.71 C ATOM 2064 O VAL A 141 4.053 5.174 12.280 1.00 1.16 O ATOM 2065 CB VAL A 141 5.269 4.159 9.359 1.00 0.90 C ATOM 2066 CG1 VAL A 141 6.746 4.477 9.620 1.00 2.32 C ATOM 2067 CG2 VAL A 141 5.165 3.236 8.143 1.00 1.90 C ATOM 0 H VAL A 141 2.889 4.196 9.461 1.00 0.74 H new ATOM 0 HA VAL A 141 4.872 2.533 10.698 1.00 0.77 H new ATOM 0 HB VAL A 141 4.769 5.108 9.166 1.00 0.90 H new ATOM 0 HG11 VAL A 141 7.193 4.897 8.719 1.00 2.32 H new ATOM 0 HG12 VAL A 141 6.825 5.198 10.434 1.00 2.32 H new ATOM 0 HG13 VAL A 141 7.272 3.562 9.894 1.00 2.32 H new ATOM 0 HG21 VAL A 141 5.696 3.682 7.302 1.00 1.90 H new ATOM 0 HG22 VAL A 141 5.609 2.269 8.381 1.00 1.90 H new ATOM 0 HG23 VAL A 141 4.116 3.099 7.879 1.00 1.90 H new ATOM 2077 N LYS A 142 5.898 3.985 12.582 1.00 1.08 N ATOM 2078 CA LYS A 142 6.396 4.823 13.666 1.00 1.31 C ATOM 2079 C LYS A 142 7.897 4.601 13.785 1.00 1.55 C ATOM 2080 O LYS A 142 8.397 4.113 14.797 1.00 1.99 O ATOM 2081 CB LYS A 142 5.646 4.581 14.986 1.00 1.50 C ATOM 2082 CG LYS A 142 5.807 3.145 15.513 1.00 1.56 C ATOM 2083 CD LYS A 142 4.468 2.413 15.700 1.00 1.72 C ATOM 2084 CE LYS A 142 3.740 2.304 14.353 1.00 3.27 C ATOM 2085 NZ LYS A 142 2.651 1.313 14.333 1.00 3.88 N ATOM 0 H LYS A 142 6.447 3.140 12.421 1.00 1.08 H new ATOM 0 HA LYS A 142 6.209 5.872 13.435 1.00 1.31 H new ATOM 0 HB2 LYS A 142 6.010 5.281 15.738 1.00 1.50 H new ATOM 0 HB3 LYS A 142 4.587 4.792 14.840 1.00 1.50 H new ATOM 0 HG2 LYS A 142 6.429 2.579 14.820 1.00 1.56 H new ATOM 0 HG3 LYS A 142 6.335 3.172 16.466 1.00 1.56 H new ATOM 0 HD2 LYS A 142 4.642 1.419 16.111 1.00 1.72 H new ATOM 0 HD3 LYS A 142 3.847 2.950 16.417 1.00 1.72 H new ATOM 0 HE2 LYS A 142 3.332 3.281 14.093 1.00 3.27 H new ATOM 0 HE3 LYS A 142 4.465 2.046 13.581 1.00 3.27 H new ATOM 0 HZ1 LYS A 142 2.404 1.088 13.348 1.00 3.88 H new ATOM 0 HZ2 LYS A 142 2.961 0.447 14.818 1.00 3.88 H new ATOM 0 HZ3 LYS A 142 1.818 1.703 14.818 1.00 3.88 H new ATOM 2099 N THR A 143 8.626 4.939 12.724 1.00 1.97 N ATOM 2100 CA THR A 143 10.075 4.893 12.811 1.00 2.35 C ATOM 2101 C THR A 143 10.492 5.970 13.815 1.00 2.00 C ATOM 2102 O THR A 143 9.736 6.916 14.045 1.00 1.80 O ATOM 2103 CB THR A 143 10.700 5.085 11.420 1.00 2.66 C ATOM 2104 OG1 THR A 143 9.886 4.469 10.443 1.00 3.09 O ATOM 2105 CG2 THR A 143 12.116 4.510 11.328 1.00 3.22 C ATOM 0 H THR A 143 8.249 5.238 11.824 1.00 1.97 H new ATOM 0 HA THR A 143 10.434 3.924 13.159 1.00 2.35 H new ATOM 0 HB THR A 143 10.766 6.159 11.244 1.00 2.66 H new ATOM 0 HG1 THR A 143 9.948 3.495 10.532 1.00 3.09 H new ATOM 0 HG21 THR A 143 12.510 4.673 10.325 1.00 3.22 H new ATOM 0 HG22 THR A 143 12.758 5.007 12.055 1.00 3.22 H new ATOM 0 HG23 THR A 143 12.089 3.441 11.538 1.00 3.22 H new ATOM 2113 N VAL A 144 11.702 5.868 14.374 1.00 1.96 N ATOM 2114 CA VAL A 144 12.260 6.889 15.262 1.00 1.63 C ATOM 2115 C VAL A 144 12.077 8.292 14.657 1.00 1.38 C ATOM 2116 O VAL A 144 11.903 9.269 15.379 1.00 1.27 O ATOM 2117 CB VAL A 144 13.740 6.577 15.560 1.00 1.68 C ATOM 2118 CG1 VAL A 144 14.342 7.599 16.535 1.00 1.86 C ATOM 2119 CG2 VAL A 144 13.899 5.181 16.183 1.00 2.02 C ATOM 0 H VAL A 144 12.322 5.073 14.222 1.00 1.96 H new ATOM 0 HA VAL A 144 11.720 6.875 16.209 1.00 1.63 H new ATOM 0 HB VAL A 144 14.264 6.622 14.605 1.00 1.68 H new ATOM 0 HG11 VAL A 144 15.386 7.350 16.724 1.00 1.86 H new ATOM 0 HG12 VAL A 144 14.280 8.597 16.101 1.00 1.86 H new ATOM 0 HG13 VAL A 144 13.788 7.577 17.474 1.00 1.86 H new ATOM 0 HG21 VAL A 144 14.953 4.989 16.382 1.00 2.02 H new ATOM 0 HG22 VAL A 144 13.339 5.133 17.117 1.00 2.02 H new ATOM 0 HG23 VAL A 144 13.518 4.429 15.492 1.00 2.02 H new ATOM 2129 N ASN A 145 12.077 8.369 13.321 1.00 1.53 N ATOM 2130 CA ASN A 145 11.691 9.557 12.570 1.00 1.55 C ATOM 2131 C ASN A 145 10.764 9.138 11.427 1.00 1.69 C ATOM 2132 O ASN A 145 11.071 9.384 10.265 1.00 1.96 O ATOM 2133 CB ASN A 145 12.939 10.270 12.020 1.00 1.79 C ATOM 2134 CG ASN A 145 13.948 10.617 13.108 1.00 2.28 C ATOM 2135 OD1 ASN A 145 13.984 11.735 13.608 1.00 3.30 O ATOM 2136 ND2 ASN A 145 14.790 9.653 13.473 1.00 2.30 N ATOM 0 H ASN A 145 12.352 7.588 12.725 1.00 1.53 H new ATOM 0 HA ASN A 145 11.168 10.253 13.226 1.00 1.55 H new ATOM 0 HB2 ASN A 145 13.418 9.633 11.277 1.00 1.79 H new ATOM 0 HB3 ASN A 145 12.634 11.183 11.509 1.00 1.79 H new ATOM 0 HD21 ASN A 145 15.493 9.834 14.190 1.00 2.30 H new ATOM 0 HD22 ASN A 145 14.732 8.733 13.036 1.00 2.30 H new ATOM 2143 N GLY A 146 9.637 8.490 11.742 1.00 1.61 N ATOM 2144 CA GLY A 146 8.663 8.046 10.753 1.00 1.84 C ATOM 2145 C GLY A 146 7.257 8.341 11.253 1.00 1.29 C ATOM 2146 O GLY A 146 6.947 8.097 12.416 1.00 1.27 O ATOM 0 H GLY A 146 9.378 8.259 12.701 1.00 1.61 H new ATOM 0 HA2 GLY A 146 8.836 8.553 9.804 1.00 1.84 H new ATOM 0 HA3 GLY A 146 8.778 6.978 10.569 1.00 1.84 H new ATOM 2150 N ILE A 147 6.426 8.899 10.375 1.00 1.06 N ATOM 2151 CA ILE A 147 5.107 9.410 10.700 1.00 0.72 C ATOM 2152 C ILE A 147 4.071 8.285 10.782 1.00 0.78 C ATOM 2153 O ILE A 147 4.147 7.311 10.041 1.00 1.45 O ATOM 2154 CB ILE A 147 4.695 10.495 9.673 1.00 0.97 C ATOM 2155 CG1 ILE A 147 5.219 10.213 8.253 1.00 1.39 C ATOM 2156 CG2 ILE A 147 5.079 11.897 10.161 1.00 1.64 C ATOM 2157 CD1 ILE A 147 6.576 10.842 7.926 1.00 1.78 C ATOM 0 H ILE A 147 6.664 9.009 9.389 1.00 1.06 H new ATOM 0 HA ILE A 147 5.147 9.868 11.688 1.00 0.72 H new ATOM 0 HB ILE A 147 3.608 10.456 9.599 1.00 0.97 H new ATOM 0 HG12 ILE A 147 5.294 9.134 8.117 1.00 1.39 H new ATOM 0 HG13 ILE A 147 4.485 10.575 7.533 1.00 1.39 H new ATOM 0 HG21 ILE A 147 4.777 12.636 9.419 1.00 1.64 H new ATOM 0 HG22 ILE A 147 4.575 12.104 11.105 1.00 1.64 H new ATOM 0 HG23 ILE A 147 6.158 11.949 10.306 1.00 1.64 H new ATOM 0 HD11 ILE A 147 6.859 10.586 6.905 1.00 1.78 H new ATOM 0 HD12 ILE A 147 6.508 11.926 8.023 1.00 1.78 H new ATOM 0 HD13 ILE A 147 7.329 10.462 8.617 1.00 1.78 H new ATOM 2169 N ARG A 148 3.093 8.449 11.683 1.00 0.69 N ATOM 2170 CA ARG A 148 2.072 7.453 12.004 1.00 0.70 C ATOM 2171 C ARG A 148 0.715 7.764 11.375 1.00 0.79 C ATOM 2172 O ARG A 148 -0.244 7.024 11.578 1.00 1.83 O ATOM 2173 CB ARG A 148 1.979 7.359 13.535 1.00 1.11 C ATOM 2174 CG ARG A 148 1.298 6.078 14.043 1.00 1.29 C ATOM 2175 CD ARG A 148 0.853 6.227 15.501 1.00 1.57 C ATOM 2176 NE ARG A 148 -0.208 7.244 15.624 1.00 2.05 N ATOM 2177 CZ ARG A 148 -0.924 7.501 16.729 1.00 2.63 C ATOM 2178 NH1 ARG A 148 -0.714 6.801 17.847 1.00 3.27 N ATOM 2179 NH2 ARG A 148 -1.843 8.470 16.693 1.00 3.88 N ATOM 0 H ARG A 148 2.991 9.308 12.224 1.00 0.69 H new ATOM 0 HA ARG A 148 2.364 6.493 11.579 1.00 0.70 H new ATOM 0 HB2 ARG A 148 2.984 7.414 13.954 1.00 1.11 H new ATOM 0 HB3 ARG A 148 1.430 8.223 13.909 1.00 1.11 H new ATOM 0 HG2 ARG A 148 0.434 5.850 13.418 1.00 1.29 H new ATOM 0 HG3 ARG A 148 1.986 5.238 13.954 1.00 1.29 H new ATOM 0 HD2 ARG A 148 0.490 5.270 15.875 1.00 1.57 H new ATOM 0 HD3 ARG A 148 1.706 6.508 16.119 1.00 1.57 H new ATOM 0 HE ARG A 148 -0.416 7.801 14.795 1.00 2.05 H new ATOM 0 HH11 ARG A 148 -0.006 6.067 17.864 1.00 3.27 H new ATOM 0 HH12 ARG A 148 -1.261 7.001 18.684 1.00 3.27 H new ATOM 0 HH21 ARG A 148 -1.991 9.001 15.835 1.00 3.88 H new ATOM 0 HH22 ARG A 148 -2.397 8.679 17.524 1.00 3.88 H new ATOM 2193 N HIS A 149 0.606 8.860 10.630 1.00 0.73 N ATOM 2194 CA HIS A 149 -0.640 9.245 9.990 1.00 0.73 C ATOM 2195 C HIS A 149 -0.332 9.446 8.514 1.00 0.67 C ATOM 2196 O HIS A 149 -0.490 10.542 7.982 1.00 0.98 O ATOM 2197 CB HIS A 149 -1.189 10.499 10.679 1.00 1.03 C ATOM 2198 CG HIS A 149 -1.176 10.404 12.186 1.00 1.61 C ATOM 2199 ND1 HIS A 149 -0.372 11.146 13.019 1.00 3.41 N ATOM 2200 CD2 HIS A 149 -1.774 9.431 12.945 1.00 1.15 C ATOM 2201 CE1 HIS A 149 -0.496 10.642 14.257 1.00 3.53 C ATOM 2202 NE2 HIS A 149 -1.330 9.585 14.267 1.00 2.00 N ATOM 0 H HIS A 149 1.379 9.502 10.455 1.00 0.73 H new ATOM 0 HA HIS A 149 -1.417 8.486 10.079 1.00 0.73 H new ATOM 0 HB2 HIS A 149 -0.600 11.362 10.371 1.00 1.03 H new ATOM 0 HB3 HIS A 149 -2.211 10.673 10.341 1.00 1.03 H new ATOM 0 HD1 HIS A 149 0.213 11.936 12.746 1.00 3.41 H new ATOM 0 HD2 HIS A 149 -2.464 8.680 12.589 1.00 1.15 H new ATOM 0 HE1 HIS A 149 0.007 11.033 15.129 1.00 3.53 H new ATOM 2210 N ILE A 150 0.159 8.386 7.867 1.00 0.65 N ATOM 2211 CA ILE A 150 0.535 8.468 6.470 1.00 0.63 C ATOM 2212 C ILE A 150 -0.737 8.285 5.648 1.00 0.66 C ATOM 2213 O ILE A 150 -1.296 7.187 5.628 1.00 0.83 O ATOM 2214 CB ILE A 150 1.612 7.431 6.125 1.00 0.68 C ATOM 2215 CG1 ILE A 150 2.808 7.565 7.082 1.00 1.05 C ATOM 2216 CG2 ILE A 150 2.056 7.622 4.672 1.00 1.21 C ATOM 2217 CD1 ILE A 150 4.017 6.716 6.673 1.00 1.26 C ATOM 0 H ILE A 150 0.302 7.470 8.293 1.00 0.65 H new ATOM 0 HA ILE A 150 0.980 9.437 6.242 1.00 0.63 H new ATOM 0 HB ILE A 150 1.199 6.429 6.240 1.00 0.68 H new ATOM 0 HG12 ILE A 150 3.109 8.612 7.130 1.00 1.05 H new ATOM 0 HG13 ILE A 150 2.494 7.277 8.085 1.00 1.05 H new ATOM 0 HG21 ILE A 150 2.821 6.886 4.426 1.00 1.21 H new ATOM 0 HG22 ILE A 150 1.200 7.491 4.010 1.00 1.21 H new ATOM 0 HG23 ILE A 150 2.463 8.625 4.545 1.00 1.21 H new ATOM 0 HD11 ILE A 150 4.823 6.860 7.393 1.00 1.26 H new ATOM 0 HD12 ILE A 150 3.733 5.664 6.652 1.00 1.26 H new ATOM 0 HD13 ILE A 150 4.357 7.020 5.683 1.00 1.26 H new ATOM 2229 N GLY A 151 -1.191 9.351 4.992 1.00 0.65 N ATOM 2230 CA GLY A 151 -2.383 9.340 4.167 1.00 0.77 C ATOM 2231 C GLY A 151 -2.032 8.708 2.827 1.00 0.63 C ATOM 2232 O GLY A 151 -1.165 9.209 2.108 1.00 0.74 O ATOM 0 H GLY A 151 -0.728 10.259 5.024 1.00 0.65 H new ATOM 0 HA2 GLY A 151 -3.178 8.777 4.656 1.00 0.77 H new ATOM 0 HA3 GLY A 151 -2.754 10.355 4.023 1.00 0.77 H new ATOM 2236 N LEU A 152 -2.674 7.582 2.511 1.00 0.63 N ATOM 2237 CA LEU A 152 -2.389 6.806 1.320 1.00 0.76 C ATOM 2238 C LEU A 152 -3.489 7.100 0.303 1.00 0.70 C ATOM 2239 O LEU A 152 -4.651 6.781 0.551 1.00 0.81 O ATOM 2240 CB LEU A 152 -2.321 5.331 1.726 1.00 1.11 C ATOM 2241 CG LEU A 152 -1.703 4.366 0.715 1.00 0.70 C ATOM 2242 CD1 LEU A 152 -2.443 4.374 -0.628 1.00 0.69 C ATOM 2243 CD2 LEU A 152 -0.210 4.629 0.514 1.00 0.82 C ATOM 0 H LEU A 152 -3.415 7.185 3.088 1.00 0.63 H new ATOM 0 HA LEU A 152 -1.435 7.063 0.860 1.00 0.76 H new ATOM 0 HB2 LEU A 152 -1.754 5.260 2.654 1.00 1.11 H new ATOM 0 HB3 LEU A 152 -3.334 4.992 1.944 1.00 1.11 H new ATOM 0 HG LEU A 152 -1.813 3.369 1.141 1.00 0.70 H new ATOM 0 HD11 LEU A 152 -1.965 3.672 -1.311 1.00 0.69 H new ATOM 0 HD12 LEU A 152 -3.481 4.080 -0.473 1.00 0.69 H new ATOM 0 HD13 LEU A 152 -2.410 5.376 -1.056 1.00 0.69 H new ATOM 0 HD21 LEU A 152 0.190 3.921 -0.212 1.00 0.82 H new ATOM 0 HD22 LEU A 152 -0.066 5.645 0.147 1.00 0.82 H new ATOM 0 HD23 LEU A 152 0.312 4.508 1.463 1.00 0.82 H new ATOM 2255 N ALA A 153 -3.137 7.716 -0.828 1.00 0.72 N ATOM 2256 CA ALA A 153 -4.092 8.086 -1.861 1.00 0.87 C ATOM 2257 C ALA A 153 -3.473 7.862 -3.238 1.00 0.85 C ATOM 2258 O ALA A 153 -2.490 8.523 -3.581 1.00 1.22 O ATOM 2259 CB ALA A 153 -4.502 9.549 -1.674 1.00 1.19 C ATOM 0 H ALA A 153 -2.174 7.971 -1.049 1.00 0.72 H new ATOM 0 HA ALA A 153 -4.983 7.464 -1.783 1.00 0.87 H new ATOM 0 HB1 ALA A 153 -5.218 9.828 -2.447 1.00 1.19 H new ATOM 0 HB2 ALA A 153 -4.960 9.676 -0.693 1.00 1.19 H new ATOM 0 HB3 ALA A 153 -3.621 10.186 -1.748 1.00 1.19 H new ATOM 2265 N ALA A 154 -4.048 6.946 -4.024 1.00 0.90 N ATOM 2266 CA ALA A 154 -3.770 6.789 -5.442 1.00 0.91 C ATOM 2267 C ALA A 154 -5.033 7.056 -6.231 1.00 1.28 C ATOM 2268 O ALA A 154 -6.123 6.705 -5.790 1.00 1.53 O ATOM 2269 CB ALA A 154 -3.312 5.371 -5.776 1.00 0.85 C ATOM 0 H ALA A 154 -4.737 6.279 -3.675 1.00 0.90 H new ATOM 0 HA ALA A 154 -2.978 7.492 -5.699 1.00 0.91 H new ATOM 0 HB1 ALA A 154 -3.114 5.295 -6.845 1.00 0.85 H new ATOM 0 HB2 ALA A 154 -2.402 5.143 -5.222 1.00 0.85 H new ATOM 0 HB3 ALA A 154 -4.093 4.662 -5.500 1.00 0.85 H new ATOM 2275 N LYS A 155 -4.841 7.642 -7.405 1.00 1.57 N ATOM 2276 CA LYS A 155 -5.842 7.823 -8.438 1.00 1.88 C ATOM 2277 C LYS A 155 -5.081 8.012 -9.737 1.00 2.10 C ATOM 2278 O LYS A 155 -4.216 8.889 -9.783 1.00 2.71 O ATOM 2279 CB LYS A 155 -6.737 9.024 -8.131 1.00 2.65 C ATOM 2280 CG LYS A 155 -5.911 10.235 -7.676 1.00 2.60 C ATOM 2281 CD LYS A 155 -6.390 11.563 -8.281 1.00 2.49 C ATOM 2282 CE LYS A 155 -5.850 11.895 -9.691 1.00 2.66 C ATOM 2283 NZ LYS A 155 -6.001 10.788 -10.655 1.00 3.28 N ATOM 0 H LYS A 155 -3.933 8.023 -7.673 1.00 1.57 H new ATOM 0 HA LYS A 155 -6.507 6.962 -8.501 1.00 1.88 H new ATOM 0 HB2 LYS A 155 -7.313 9.287 -9.018 1.00 2.65 H new ATOM 0 HB3 LYS A 155 -7.453 8.757 -7.354 1.00 2.65 H new ATOM 0 HG2 LYS A 155 -5.951 10.304 -6.589 1.00 2.60 H new ATOM 0 HG3 LYS A 155 -4.867 10.076 -7.948 1.00 2.60 H new ATOM 0 HD2 LYS A 155 -7.479 11.549 -8.324 1.00 2.49 H new ATOM 0 HD3 LYS A 155 -6.108 12.371 -7.605 1.00 2.49 H new ATOM 0 HE2 LYS A 155 -6.371 12.773 -10.073 1.00 2.66 H new ATOM 0 HE3 LYS A 155 -4.795 12.158 -9.615 1.00 2.66 H new ATOM 0 HZ1 LYS A 155 -6.099 11.175 -11.615 1.00 3.28 H new ATOM 0 HZ2 LYS A 155 -5.162 10.174 -10.613 1.00 3.28 H new ATOM 0 HZ3 LYS A 155 -6.848 10.234 -10.417 1.00 3.28 H new ATOM 2297 N GLN A 156 -5.375 7.265 -10.793 1.00 1.87 N ATOM 2298 CA GLN A 156 -4.389 7.177 -11.861 1.00 2.08 C ATOM 2299 C GLN A 156 -4.434 8.365 -12.829 1.00 2.74 C ATOM 2300 O GLN A 156 -5.167 9.342 -12.558 1.00 4.01 O ATOM 2301 CB GLN A 156 -4.414 5.786 -12.503 1.00 1.97 C ATOM 2302 CG GLN A 156 -4.771 4.660 -11.510 1.00 1.96 C ATOM 2303 CD GLN A 156 -4.231 4.812 -10.078 1.00 3.20 C ATOM 2304 OE1 GLN A 156 -3.225 5.469 -9.831 1.00 4.63 O ATOM 2305 NE2 GLN A 156 -4.891 4.224 -9.092 1.00 3.27 N ATOM 0 H GLN A 156 -6.237 6.738 -10.932 1.00 1.87 H new ATOM 0 HA GLN A 156 -3.395 7.277 -11.425 1.00 2.08 H new ATOM 0 HB2 GLN A 156 -5.137 5.783 -13.319 1.00 1.97 H new ATOM 0 HB3 GLN A 156 -3.438 5.578 -12.941 1.00 1.97 H new ATOM 0 HG2 GLN A 156 -5.857 4.582 -11.459 1.00 1.96 H new ATOM 0 HG3 GLN A 156 -4.402 3.718 -11.916 1.00 1.96 H new ATOM 0 HE21 GLN A 156 -5.728 3.677 -9.294 1.00 3.27 H new ATOM 0 HE22 GLN A 156 -4.562 4.318 -8.131 1.00 3.27 H new