USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 4 THR OG1 : rot 180:sc= 0.0469 USER MOD Set 1.2: A 7 GLN : amide:sc= -0.213 K(o=-0.17,f=-2.1!) USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.00576 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0655 X(o=-0.065,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 150:sc= -0.454 (180deg=-1.17) USER MOD Single : A 38 SER OG : rot 180:sc= -0.607 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0851 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 162:sc= 0 (180deg=-0.518) USER MOD Single : A 48 MET CE :methyl -158:sc= -0.011 (180deg=-0.513) USER MOD Single : A 51 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.98) USER MOD Single : A 52 ASN : amide:sc= -0.0738 K(o=-0.074,f=-1.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 93:sc= 0.0254 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -94:sc= -0.312 (180deg=-1.13) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 86 MET CE :methyl -170:sc= -3.18 (180deg=-4.26!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.749 14.132 -13.046 1.00 0.00 N ATOM 2 CA ALA A 1 -16.000 12.782 -13.593 1.00 0.00 C ATOM 3 C ALA A 1 -17.003 12.023 -12.681 1.00 0.00 C ATOM 4 O ALA A 1 -16.921 12.099 -11.450 1.00 0.00 O ATOM 5 CB ALA A 1 -14.670 12.020 -13.739 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.726 14.318 -13.038 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.225 14.841 -13.639 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.119 14.188 -12.076 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.446 12.863 -14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.863 11.026 -14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.011 12.565 -14.415 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.194 11.929 -12.763 1.00 0.00 H new ATOM 13 N SER A 2 -17.927 11.271 -13.308 1.00 0.00 N ATOM 14 CA SER A 2 -18.890 10.399 -12.586 1.00 0.00 C ATOM 15 C SER A 2 -18.991 9.023 -13.299 1.00 0.00 C ATOM 16 O SER A 2 -20.068 8.418 -13.357 1.00 0.00 O ATOM 17 CB SER A 2 -20.258 11.112 -12.488 1.00 0.00 C ATOM 18 OG SER A 2 -20.105 12.527 -12.446 1.00 0.00 O ATOM 0 H SER A 2 -18.032 11.246 -14.322 1.00 0.00 H new ATOM 0 HA SER A 2 -18.542 10.212 -11.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.875 10.837 -13.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.783 10.775 -11.594 1.00 0.00 H new ATOM 0 HG SER A 2 -20.987 12.950 -12.386 1.00 0.00 H new ATOM 24 N MET A 3 -17.859 8.560 -13.861 1.00 0.00 N ATOM 25 CA MET A 3 -17.772 7.242 -14.546 1.00 0.00 C ATOM 26 C MET A 3 -16.707 6.364 -13.834 1.00 0.00 C ATOM 27 O MET A 3 -17.023 5.290 -13.308 1.00 0.00 O ATOM 28 CB MET A 3 -17.453 7.452 -16.052 1.00 0.00 C ATOM 29 CG MET A 3 -17.820 8.835 -16.625 1.00 0.00 C ATOM 30 SD MET A 3 -18.482 8.687 -18.301 1.00 0.00 S ATOM 31 CE MET A 3 -19.925 9.767 -18.222 1.00 0.00 C ATOM 0 H MET A 3 -16.981 9.079 -13.857 1.00 0.00 H new ATOM 0 HA MET A 3 -18.727 6.719 -14.488 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.387 7.287 -16.205 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.980 6.690 -16.626 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.556 9.316 -15.981 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.938 9.475 -16.634 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.430 9.771 -19.188 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.610 9.403 -17.456 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.608 10.780 -17.974 1.00 0.00 H new ATOM 41 N THR A 4 -15.454 6.855 -13.803 1.00 0.00 N ATOM 42 CA THR A 4 -14.306 6.122 -13.205 1.00 0.00 C ATOM 43 C THR A 4 -13.867 6.800 -11.879 1.00 0.00 C ATOM 44 O THR A 4 -13.070 7.747 -11.885 1.00 0.00 O ATOM 45 CB THR A 4 -13.161 5.929 -14.247 1.00 0.00 C ATOM 46 OG1 THR A 4 -13.027 7.117 -15.022 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.275 4.738 -15.221 1.00 0.00 C ATOM 0 H THR A 4 -15.202 7.766 -14.188 1.00 0.00 H new ATOM 0 HA THR A 4 -14.613 5.112 -12.934 1.00 0.00 H new ATOM 0 HB THR A 4 -12.292 5.703 -13.629 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.307 7.001 -15.677 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.412 4.728 -15.886 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.308 3.807 -14.655 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.186 4.836 -15.811 1.00 0.00 H new ATOM 55 N ASP A 5 -14.420 6.321 -10.749 1.00 0.00 N ATOM 56 CA ASP A 5 -14.195 6.925 -9.409 1.00 0.00 C ATOM 57 C ASP A 5 -12.748 6.607 -8.939 1.00 0.00 C ATOM 58 O ASP A 5 -12.172 7.356 -8.139 1.00 0.00 O ATOM 59 CB ASP A 5 -15.270 6.457 -8.384 1.00 0.00 C ATOM 60 CG ASP A 5 -16.524 7.341 -8.271 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.445 8.547 -8.594 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.592 6.830 -7.867 1.00 0.00 O ATOM 0 H ASP A 5 -15.035 5.507 -10.732 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.301 8.008 -9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.584 5.448 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.803 6.395 -7.401 1.00 0.00 H new ATOM 67 N GLN A 6 -12.192 5.480 -9.416 1.00 0.00 N ATOM 68 CA GLN A 6 -10.825 5.017 -9.053 1.00 0.00 C ATOM 69 C GLN A 6 -9.848 6.222 -9.137 1.00 0.00 C ATOM 70 O GLN A 6 -9.526 6.846 -8.119 1.00 0.00 O ATOM 71 CB GLN A 6 -10.396 3.841 -9.978 1.00 0.00 C ATOM 72 CG GLN A 6 -11.214 2.533 -9.848 1.00 0.00 C ATOM 73 CD GLN A 6 -10.751 1.397 -10.778 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.556 0.755 -11.452 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.455 1.130 -10.840 1.00 0.00 N ATOM 0 H GLN A 6 -12.672 4.857 -10.066 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.809 4.638 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.455 4.180 -11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.350 3.612 -9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.160 2.186 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.261 2.752 -10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.796 1.668 -10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.116 0.386 -11.450 1.00 0.00 H new ATOM 84 N GLN A 7 -9.363 6.512 -10.358 1.00 0.00 N ATOM 85 CA GLN A 7 -8.331 7.556 -10.601 1.00 0.00 C ATOM 86 C GLN A 7 -8.922 8.947 -10.247 1.00 0.00 C ATOM 87 O GLN A 7 -8.180 9.868 -9.878 1.00 0.00 O ATOM 88 CB GLN A 7 -7.853 7.547 -12.081 1.00 0.00 C ATOM 89 CG GLN A 7 -8.961 7.440 -13.154 1.00 0.00 C ATOM 90 CD GLN A 7 -9.249 8.785 -13.842 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.435 9.707 -13.806 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.404 8.930 -14.474 1.00 0.00 N ATOM 0 H GLN A 7 -9.669 6.035 -11.206 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.468 7.344 -9.970 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.286 8.460 -12.264 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.165 6.712 -12.214 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.665 6.708 -13.905 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.876 7.070 -12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.072 8.160 -14.498 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.625 9.812 -14.936 1.00 0.00 H new ATOM 101 N ALA A 8 -10.254 9.093 -10.368 1.00 0.00 N ATOM 102 CA ALA A 8 -10.963 10.366 -10.068 1.00 0.00 C ATOM 103 C ALA A 8 -10.507 10.924 -8.691 1.00 0.00 C ATOM 104 O ALA A 8 -9.717 11.872 -8.624 1.00 0.00 O ATOM 105 CB ALA A 8 -12.483 10.117 -10.111 1.00 0.00 C ATOM 0 H ALA A 8 -10.872 8.342 -10.674 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.716 11.118 -10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.010 11.046 -9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.766 9.764 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.750 9.365 -9.369 1.00 0.00 H new ATOM 111 N GLU A 9 -11.044 10.340 -7.604 1.00 0.00 N ATOM 112 CA GLU A 9 -10.795 10.807 -6.213 1.00 0.00 C ATOM 113 C GLU A 9 -9.266 10.954 -5.983 1.00 0.00 C ATOM 114 O GLU A 9 -8.775 12.052 -5.693 1.00 0.00 O ATOM 115 CB GLU A 9 -11.445 9.859 -5.163 1.00 0.00 C ATOM 116 CG GLU A 9 -12.964 10.033 -4.926 1.00 0.00 C ATOM 117 CD GLU A 9 -13.409 9.590 -3.531 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.541 9.377 -2.656 1.00 0.00 O ATOM 119 OE2 GLU A 9 -14.632 9.456 -3.300 1.00 0.00 O ATOM 0 H GLU A 9 -11.663 9.531 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.265 11.781 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.263 8.830 -5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.932 10.000 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.230 11.080 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.510 9.459 -5.674 1.00 0.00 H new ATOM 126 N ALA A 10 -8.534 9.830 -6.084 1.00 0.00 N ATOM 127 CA ALA A 10 -7.077 9.777 -5.787 1.00 0.00 C ATOM 128 C ALA A 10 -6.338 10.959 -6.474 1.00 0.00 C ATOM 129 O ALA A 10 -5.301 11.423 -5.986 1.00 0.00 O ATOM 130 CB ALA A 10 -6.522 8.413 -6.243 1.00 0.00 C ATOM 0 H ALA A 10 -8.926 8.933 -6.372 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.913 9.878 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.454 8.365 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.036 7.614 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.683 8.294 -7.314 1.00 0.00 H new ATOM 136 N ARG A 11 -6.875 11.410 -7.622 1.00 0.00 N ATOM 137 CA ARG A 11 -6.251 12.470 -8.460 1.00 0.00 C ATOM 138 C ARG A 11 -6.263 13.791 -7.643 1.00 0.00 C ATOM 139 O ARG A 11 -5.211 14.398 -7.410 1.00 0.00 O ATOM 140 CB ARG A 11 -7.012 12.622 -9.807 1.00 0.00 C ATOM 141 CG ARG A 11 -6.982 14.033 -10.439 1.00 0.00 C ATOM 142 CD ARG A 11 -8.067 14.224 -11.517 1.00 0.00 C ATOM 143 NE ARG A 11 -8.664 15.582 -11.465 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.869 16.371 -12.539 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.117 15.850 -13.733 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.815 17.692 -12.437 1.00 0.00 N ATOM 0 H ARG A 11 -7.753 11.055 -8.001 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.223 12.205 -8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.592 11.915 -10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.052 12.337 -9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.117 14.780 -9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.001 14.208 -10.881 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.633 14.055 -12.503 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.850 13.478 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.939 15.944 -10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.155 14.837 -13.850 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.270 16.462 -14.535 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.616 18.126 -11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.973 18.274 -13.260 1.00 0.00 H new ATOM 160 N ALA A 12 -7.470 14.219 -7.219 1.00 0.00 N ATOM 161 CA ALA A 12 -7.663 15.518 -6.520 1.00 0.00 C ATOM 162 C ALA A 12 -6.811 15.548 -5.222 1.00 0.00 C ATOM 163 O ALA A 12 -6.353 16.613 -4.791 1.00 0.00 O ATOM 164 CB ALA A 12 -9.161 15.728 -6.228 1.00 0.00 C ATOM 0 H ALA A 12 -8.331 13.687 -7.346 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.327 16.338 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.302 16.680 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.717 15.735 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.525 14.918 -5.596 1.00 0.00 H new ATOM 170 N PHE A 13 -6.625 14.368 -4.601 1.00 0.00 N ATOM 171 CA PHE A 13 -5.852 14.229 -3.338 1.00 0.00 C ATOM 172 C PHE A 13 -4.356 14.547 -3.606 1.00 0.00 C ATOM 173 O PHE A 13 -3.712 15.258 -2.826 1.00 0.00 O ATOM 174 CB PHE A 13 -6.082 12.803 -2.758 1.00 0.00 C ATOM 175 CG PHE A 13 -5.673 12.624 -1.282 1.00 0.00 C ATOM 176 CD1 PHE A 13 -6.533 13.029 -0.254 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.441 12.043 -0.956 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.166 12.853 1.078 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.077 11.869 0.377 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.939 12.274 1.393 1.00 0.00 C ATOM 0 H PHE A 13 -7.000 13.487 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.194 14.943 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.138 12.552 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.525 12.087 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.485 13.480 -0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.770 11.729 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.833 13.166 1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.126 11.420 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.656 12.139 2.426 1.00 0.00 H new ATOM 190 N LEU A 14 -3.826 14.013 -4.723 1.00 0.00 N ATOM 191 CA LEU A 14 -2.396 14.162 -5.101 1.00 0.00 C ATOM 192 C LEU A 14 -2.256 15.462 -5.938 1.00 0.00 C ATOM 193 O LEU A 14 -3.247 15.991 -6.456 1.00 0.00 O ATOM 194 CB LEU A 14 -1.892 12.912 -5.882 1.00 0.00 C ATOM 195 CG LEU A 14 -2.151 11.516 -5.244 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.385 10.442 -6.325 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.011 11.075 -4.304 1.00 0.00 C ATOM 0 H LEU A 14 -4.370 13.467 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.774 14.236 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.355 12.922 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.818 13.019 -6.032 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.055 11.619 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.563 9.478 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.252 10.714 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.506 10.373 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.242 10.095 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.078 11.019 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.906 11.798 -3.496 1.00 0.00 H new ATOM 209 N SER A 15 -1.012 15.961 -6.061 1.00 0.00 N ATOM 210 CA SER A 15 -0.712 17.241 -6.757 1.00 0.00 C ATOM 211 C SER A 15 0.214 16.974 -7.974 1.00 0.00 C ATOM 212 O SER A 15 0.327 15.836 -8.444 1.00 0.00 O ATOM 213 CB SER A 15 -0.091 18.239 -5.752 1.00 0.00 C ATOM 214 OG SER A 15 -0.696 18.129 -4.468 1.00 0.00 O ATOM 0 H SER A 15 -0.185 15.496 -5.685 1.00 0.00 H new ATOM 0 HA SER A 15 -1.629 17.687 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.980 18.054 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.210 19.256 -6.126 1.00 0.00 H new ATOM 0 HG SER A 15 -0.281 18.771 -3.855 1.00 0.00 H new ATOM 220 N GLU A 16 0.861 18.042 -8.478 1.00 0.00 N ATOM 221 CA GLU A 16 1.774 17.960 -9.649 1.00 0.00 C ATOM 222 C GLU A 16 3.183 17.546 -9.143 1.00 0.00 C ATOM 223 O GLU A 16 3.878 16.751 -9.786 1.00 0.00 O ATOM 224 CB GLU A 16 1.764 19.301 -10.438 1.00 0.00 C ATOM 225 CG GLU A 16 2.833 19.459 -11.545 1.00 0.00 C ATOM 226 CD GLU A 16 2.914 20.867 -12.143 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.579 21.741 -11.544 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.316 21.105 -13.215 1.00 0.00 O ATOM 0 H GLU A 16 0.771 18.982 -8.093 1.00 0.00 H new ATOM 0 HA GLU A 16 1.439 17.201 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.781 19.421 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.887 20.117 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.807 19.194 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.620 18.749 -12.344 1.00 0.00 H new ATOM 235 N GLU A 17 3.592 18.111 -7.991 1.00 0.00 N ATOM 236 CA GLU A 17 4.907 17.833 -7.358 1.00 0.00 C ATOM 237 C GLU A 17 4.791 16.593 -6.429 1.00 0.00 C ATOM 238 O GLU A 17 5.518 16.501 -5.425 1.00 0.00 O ATOM 239 CB GLU A 17 5.424 19.097 -6.603 1.00 0.00 C ATOM 240 CG GLU A 17 6.959 19.248 -6.482 1.00 0.00 C ATOM 241 CD GLU A 17 7.413 20.103 -5.295 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.763 21.133 -5.008 1.00 0.00 O ATOM 243 OE2 GLU A 17 8.418 19.747 -4.641 1.00 0.00 O ATOM 0 H GLU A 17 3.022 18.776 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 17 5.644 17.600 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.033 19.980 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.001 19.091 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.405 18.257 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.343 19.689 -7.402 1.00 0.00 H new ATOM 250 N MET A 18 3.892 15.646 -6.754 1.00 0.00 N ATOM 251 CA MET A 18 3.721 14.381 -5.991 1.00 0.00 C ATOM 252 C MET A 18 3.674 13.213 -7.014 1.00 0.00 C ATOM 253 O MET A 18 4.314 12.174 -6.814 1.00 0.00 O ATOM 254 CB MET A 18 2.456 14.426 -5.089 1.00 0.00 C ATOM 255 CG MET A 18 2.663 14.980 -3.667 1.00 0.00 C ATOM 256 SD MET A 18 1.301 14.465 -2.597 1.00 0.00 S ATOM 257 CE MET A 18 1.987 14.805 -0.963 1.00 0.00 C ATOM 0 H MET A 18 3.261 15.729 -7.551 1.00 0.00 H new ATOM 0 HA MET A 18 4.560 14.234 -5.311 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.699 15.032 -5.588 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.054 13.416 -5.010 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.609 14.621 -3.263 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.721 16.068 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.257 14.536 -0.199 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.895 14.219 -0.820 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.224 15.866 -0.881 1.00 0.00 H new ATOM 267 N ILE A 19 2.886 13.393 -8.091 1.00 0.00 N ATOM 268 CA ILE A 19 2.659 12.344 -9.122 1.00 0.00 C ATOM 269 C ILE A 19 4.034 12.095 -9.800 1.00 0.00 C ATOM 270 O ILE A 19 4.342 10.965 -10.199 1.00 0.00 O ATOM 271 CB ILE A 19 1.493 12.730 -10.108 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.099 12.220 -9.623 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.758 12.250 -11.561 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.658 13.152 -8.663 1.00 0.00 C ATOM 0 H ILE A 19 2.388 14.263 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 19 2.307 11.410 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 19 1.470 13.820 -10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.527 12.045 -10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.237 11.257 -9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.924 12.542 -12.199 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.676 12.706 -11.933 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.861 11.165 -11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.611 12.698 -8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.062 13.310 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.838 14.110 -9.152 1.00 0.00 H new ATOM 286 N ALA A 20 4.835 13.166 -9.953 1.00 0.00 N ATOM 287 CA ALA A 20 6.169 13.096 -10.609 1.00 0.00 C ATOM 288 C ALA A 20 7.082 12.088 -9.858 1.00 0.00 C ATOM 289 O ALA A 20 7.891 11.386 -10.478 1.00 0.00 O ATOM 290 CB ALA A 20 6.784 14.508 -10.649 1.00 0.00 C ATOM 0 H ALA A 20 4.585 14.101 -9.631 1.00 0.00 H new ATOM 0 HA ALA A 20 6.066 12.737 -11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.762 14.465 -11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.131 15.173 -11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.894 14.886 -9.633 1.00 0.00 H new ATOM 296 N GLU A 21 6.958 12.052 -8.519 1.00 0.00 N ATOM 297 CA GLU A 21 7.831 11.225 -7.645 1.00 0.00 C ATOM 298 C GLU A 21 7.657 9.735 -8.047 1.00 0.00 C ATOM 299 O GLU A 21 8.607 8.947 -7.984 1.00 0.00 O ATOM 300 CB GLU A 21 7.517 11.508 -6.147 1.00 0.00 C ATOM 301 CG GLU A 21 8.239 12.717 -5.506 1.00 0.00 C ATOM 302 CD GLU A 21 8.252 12.699 -3.974 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.156 12.067 -3.384 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.361 13.321 -3.354 1.00 0.00 O ATOM 0 H GLU A 21 6.257 12.589 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 21 8.881 11.483 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.442 11.660 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.768 10.617 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.267 12.745 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.757 13.635 -5.844 1.00 0.00 H new ATOM 311 N PHE A 22 6.423 9.365 -8.437 1.00 0.00 N ATOM 312 CA PHE A 22 6.070 7.970 -8.812 1.00 0.00 C ATOM 313 C PHE A 22 6.513 7.719 -10.279 1.00 0.00 C ATOM 314 O PHE A 22 6.828 6.583 -10.655 1.00 0.00 O ATOM 315 CB PHE A 22 4.547 7.717 -8.606 1.00 0.00 C ATOM 316 CG PHE A 22 4.026 7.964 -7.175 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.791 9.267 -6.721 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.807 6.888 -6.307 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.315 9.487 -5.430 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.351 7.111 -5.010 1.00 0.00 C ATOM 321 CZ PHE A 22 3.100 8.409 -4.575 1.00 0.00 C ATOM 0 H PHE A 22 5.641 10.016 -8.503 1.00 0.00 H new ATOM 0 HA PHE A 22 6.593 7.264 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.993 8.357 -9.292 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.326 6.686 -8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.980 10.106 -7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.993 5.879 -6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.113 10.493 -5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.192 6.277 -4.342 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.738 8.581 -3.572 1.00 0.00 H new ATOM 331 N LYS A 23 6.501 8.784 -11.102 1.00 0.00 N ATOM 332 CA LYS A 23 6.869 8.716 -12.542 1.00 0.00 C ATOM 333 C LYS A 23 8.215 7.951 -12.658 1.00 0.00 C ATOM 334 O LYS A 23 8.367 7.066 -13.510 1.00 0.00 O ATOM 335 CB LYS A 23 6.978 10.138 -13.168 1.00 0.00 C ATOM 336 CG LYS A 23 5.706 10.716 -13.833 1.00 0.00 C ATOM 337 CD LYS A 23 5.929 12.007 -14.650 1.00 0.00 C ATOM 338 CE LYS A 23 7.326 12.071 -15.291 1.00 0.00 C ATOM 339 NZ LYS A 23 7.412 13.149 -16.292 1.00 0.00 N ATOM 0 H LYS A 23 6.237 9.720 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 23 6.091 8.190 -13.096 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.294 10.828 -12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.771 10.118 -13.915 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.280 9.957 -14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.968 10.917 -13.057 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.172 12.073 -15.431 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.792 12.871 -14.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.076 12.232 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.555 11.116 -15.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.367 13.164 -16.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.713 12.982 -17.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.218 14.063 -15.835 1.00 0.00 H new ATOM 353 N ALA A 24 9.192 8.325 -11.811 1.00 0.00 N ATOM 354 CA ALA A 24 10.566 7.759 -11.857 1.00 0.00 C ATOM 355 C ALA A 24 10.508 6.212 -11.728 1.00 0.00 C ATOM 356 O ALA A 24 11.029 5.481 -12.579 1.00 0.00 O ATOM 357 CB ALA A 24 11.412 8.399 -10.739 1.00 0.00 C ATOM 0 H ALA A 24 9.060 9.022 -11.078 1.00 0.00 H new ATOM 0 HA ALA A 24 11.036 7.987 -12.814 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.421 7.989 -10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.455 9.478 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.959 8.184 -9.771 1.00 0.00 H new ATOM 363 N ALA A 25 9.891 5.731 -10.632 1.00 0.00 N ATOM 364 CA ALA A 25 9.832 4.284 -10.300 1.00 0.00 C ATOM 365 C ALA A 25 8.842 3.528 -11.229 1.00 0.00 C ATOM 366 O ALA A 25 8.833 2.287 -11.233 1.00 0.00 O ATOM 367 CB ALA A 25 9.440 4.132 -8.814 1.00 0.00 C ATOM 0 H ALA A 25 9.420 6.327 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 25 10.812 3.836 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.393 3.074 -8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.185 4.625 -8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.465 4.590 -8.646 1.00 0.00 H new ATOM 373 N PHE A 26 8.021 4.264 -12.001 1.00 0.00 N ATOM 374 CA PHE A 26 6.954 3.666 -12.849 1.00 0.00 C ATOM 375 C PHE A 26 7.633 2.978 -14.065 1.00 0.00 C ATOM 376 O PHE A 26 7.236 1.879 -14.470 1.00 0.00 O ATOM 377 CB PHE A 26 5.907 4.734 -13.291 1.00 0.00 C ATOM 378 CG PHE A 26 4.792 4.205 -14.222 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.699 3.510 -13.691 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.853 4.437 -15.601 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.680 3.060 -14.528 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.835 3.982 -16.435 1.00 0.00 C ATOM 383 CZ PHE A 26 2.749 3.296 -15.899 1.00 0.00 C ATOM 0 H PHE A 26 8.071 5.281 -12.060 1.00 0.00 H new ATOM 0 HA PHE A 26 6.398 2.924 -12.277 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.445 5.159 -12.400 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.429 5.546 -13.798 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.645 3.322 -12.629 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.693 4.971 -16.020 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.836 2.528 -14.114 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.888 4.162 -17.499 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.959 2.946 -16.547 1.00 0.00 H new ATOM 393 N ASP A 27 8.648 3.646 -14.643 1.00 0.00 N ATOM 394 CA ASP A 27 9.408 3.117 -15.807 1.00 0.00 C ATOM 395 C ASP A 27 10.288 1.929 -15.329 1.00 0.00 C ATOM 396 O ASP A 27 10.500 0.965 -16.075 1.00 0.00 O ATOM 397 CB ASP A 27 10.237 4.233 -16.508 1.00 0.00 C ATOM 398 CG ASP A 27 11.480 3.766 -17.284 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.346 3.374 -18.464 1.00 0.00 O ATOM 400 OD2 ASP A 27 12.593 3.787 -16.712 1.00 0.00 O ATOM 0 H ASP A 27 8.968 4.561 -14.325 1.00 0.00 H new ATOM 0 HA ASP A 27 8.713 2.753 -16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.582 4.765 -17.198 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.554 4.951 -15.752 1.00 0.00 H new ATOM 405 N MET A 28 10.783 2.013 -14.077 1.00 0.00 N ATOM 406 CA MET A 28 11.634 0.952 -13.472 1.00 0.00 C ATOM 407 C MET A 28 10.800 -0.358 -13.437 1.00 0.00 C ATOM 408 O MET A 28 11.304 -1.438 -13.763 1.00 0.00 O ATOM 409 CB MET A 28 12.154 1.353 -12.062 1.00 0.00 C ATOM 410 CG MET A 28 13.396 0.592 -11.562 1.00 0.00 C ATOM 411 SD MET A 28 14.070 1.401 -10.094 1.00 0.00 S ATOM 412 CE MET A 28 12.589 1.576 -9.077 1.00 0.00 C ATOM 0 H MET A 28 10.611 2.805 -13.458 1.00 0.00 H new ATOM 0 HA MET A 28 12.529 0.805 -14.076 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.383 2.419 -12.070 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.348 1.206 -11.343 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.131 -0.439 -11.329 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.151 0.557 -12.347 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.865 1.541 -8.023 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.109 2.530 -9.295 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.898 0.763 -9.298 1.00 0.00 H new ATOM 422 N PHE A 29 9.519 -0.238 -13.036 1.00 0.00 N ATOM 423 CA PHE A 29 8.601 -1.402 -12.909 1.00 0.00 C ATOM 424 C PHE A 29 8.357 -1.990 -14.326 1.00 0.00 C ATOM 425 O PHE A 29 8.235 -3.210 -14.491 1.00 0.00 O ATOM 426 CB PHE A 29 7.271 -0.987 -12.212 1.00 0.00 C ATOM 427 CG PHE A 29 6.358 -2.155 -11.788 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.551 -2.803 -12.731 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.319 -2.571 -10.452 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.716 -3.848 -12.341 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.483 -3.616 -10.065 1.00 0.00 C ATOM 432 CZ PHE A 29 4.677 -4.248 -11.008 1.00 0.00 C ATOM 0 H PHE A 29 9.089 0.654 -12.792 1.00 0.00 H new ATOM 0 HA PHE A 29 9.052 -2.169 -12.279 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.512 -0.396 -11.328 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.713 -0.338 -12.887 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.576 -2.492 -13.765 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.940 -2.079 -9.718 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.099 -4.348 -13.073 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.460 -3.936 -9.034 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.020 -5.050 -10.705 1.00 0.00 H new ATOM 442 N ASP A 30 8.321 -1.107 -15.340 1.00 0.00 N ATOM 443 CA ASP A 30 8.099 -1.504 -16.756 1.00 0.00 C ATOM 444 C ASP A 30 9.325 -2.322 -17.242 1.00 0.00 C ATOM 445 O ASP A 30 10.466 -2.042 -16.854 1.00 0.00 O ATOM 446 CB ASP A 30 7.805 -0.270 -17.659 1.00 0.00 C ATOM 447 CG ASP A 30 7.802 -0.528 -19.175 1.00 0.00 C ATOM 448 OD1 ASP A 30 8.881 -0.451 -19.803 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.721 -0.803 -19.742 1.00 0.00 O ATOM 0 H ASP A 30 8.443 -0.103 -15.210 1.00 0.00 H new ATOM 0 HA ASP A 30 7.212 -2.133 -16.826 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.834 0.137 -17.378 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.547 0.498 -17.443 1.00 0.00 H new ATOM 454 N ALA A 31 9.073 -3.327 -18.102 1.00 0.00 N ATOM 455 CA ALA A 31 10.134 -4.206 -18.661 1.00 0.00 C ATOM 456 C ALA A 31 10.219 -4.020 -20.201 1.00 0.00 C ATOM 457 O ALA A 31 11.314 -3.927 -20.767 1.00 0.00 O ATOM 458 CB ALA A 31 9.835 -5.667 -18.273 1.00 0.00 C ATOM 0 H ALA A 31 8.135 -3.557 -18.431 1.00 0.00 H new ATOM 0 HA ALA A 31 11.105 -3.936 -18.247 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.609 -6.317 -18.680 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.818 -5.759 -17.187 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.866 -5.960 -18.677 1.00 0.00 H new ATOM 464 N ASP A 32 9.045 -3.967 -20.858 1.00 0.00 N ATOM 465 CA ASP A 32 8.940 -3.854 -22.337 1.00 0.00 C ATOM 466 C ASP A 32 8.988 -2.352 -22.727 1.00 0.00 C ATOM 467 O ASP A 32 9.868 -1.921 -23.481 1.00 0.00 O ATOM 468 CB ASP A 32 7.672 -4.574 -22.881 1.00 0.00 C ATOM 469 CG ASP A 32 6.429 -3.691 -23.087 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.293 -3.084 -24.172 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.592 -3.598 -22.163 1.00 0.00 O ATOM 0 H ASP A 32 8.141 -4.001 -20.386 1.00 0.00 H new ATOM 0 HA ASP A 32 9.784 -4.362 -22.803 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.924 -5.040 -23.834 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.412 -5.378 -22.192 1.00 0.00 H new ATOM 476 N GLY A 33 8.035 -1.564 -22.195 1.00 0.00 N ATOM 477 CA GLY A 33 7.958 -0.102 -22.455 1.00 0.00 C ATOM 478 C GLY A 33 6.857 0.237 -23.495 1.00 0.00 C ATOM 479 O GLY A 33 6.786 -0.373 -24.569 1.00 0.00 O ATOM 0 H GLY A 33 7.301 -1.912 -21.578 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.752 0.423 -21.522 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.922 0.255 -22.816 1.00 0.00 H new ATOM 483 N GLY A 34 5.981 1.199 -23.146 1.00 0.00 N ATOM 484 CA GLY A 34 4.809 1.561 -23.983 1.00 0.00 C ATOM 485 C GLY A 34 3.991 2.686 -23.301 1.00 0.00 C ATOM 486 O GLY A 34 4.132 3.870 -23.629 1.00 0.00 O ATOM 0 H GLY A 34 6.059 1.744 -22.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.143 1.890 -24.967 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.179 0.685 -24.137 1.00 0.00 H new ATOM 490 N GLY A 35 3.150 2.299 -22.319 1.00 0.00 N ATOM 491 CA GLY A 35 2.345 3.259 -21.524 1.00 0.00 C ATOM 492 C GLY A 35 1.854 2.592 -20.213 1.00 0.00 C ATOM 493 O GLY A 35 1.969 3.174 -19.126 1.00 0.00 O ATOM 0 H GLY A 35 3.008 1.324 -22.054 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.943 4.140 -21.290 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.491 3.600 -22.109 1.00 0.00 H new ATOM 497 N ASP A 36 1.281 1.380 -20.341 1.00 0.00 N ATOM 498 CA ASP A 36 0.765 0.593 -19.191 1.00 0.00 C ATOM 499 C ASP A 36 1.695 -0.632 -18.968 1.00 0.00 C ATOM 500 O ASP A 36 2.525 -0.956 -19.826 1.00 0.00 O ATOM 501 CB ASP A 36 -0.723 0.186 -19.394 1.00 0.00 C ATOM 502 CG ASP A 36 -1.630 1.241 -20.050 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.419 2.451 -19.813 1.00 0.00 O ATOM 504 OD2 ASP A 36 -2.559 0.862 -20.796 1.00 0.00 O ATOM 0 H ASP A 36 1.160 0.914 -21.240 1.00 0.00 H new ATOM 0 HA ASP A 36 0.778 1.208 -18.291 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.751 -0.717 -20.003 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.144 -0.072 -18.422 1.00 0.00 H new ATOM 509 N ILE A 37 1.563 -1.282 -17.797 1.00 0.00 N ATOM 510 CA ILE A 37 2.360 -2.479 -17.419 1.00 0.00 C ATOM 511 C ILE A 37 1.546 -3.760 -17.751 1.00 0.00 C ATOM 512 O ILE A 37 0.405 -3.683 -18.228 1.00 0.00 O ATOM 513 CB ILE A 37 2.879 -2.458 -15.933 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.724 -1.094 -15.189 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.328 -2.999 -15.840 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.825 -0.759 -14.169 1.00 0.00 C ATOM 0 H ILE A 37 0.899 -0.995 -17.078 1.00 0.00 H new ATOM 0 HA ILE A 37 3.273 -2.471 -18.014 1.00 0.00 H new ATOM 0 HB ILE A 37 2.212 -3.132 -15.396 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.690 -0.298 -15.933 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.764 -1.090 -14.673 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.660 -2.973 -14.802 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.357 -4.026 -16.204 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.987 -2.379 -16.448 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.617 0.209 -13.713 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.850 -1.526 -13.395 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.790 -0.722 -14.674 1.00 0.00 H new ATOM 528 N SER A 38 2.133 -4.938 -17.466 1.00 0.00 N ATOM 529 CA SER A 38 1.443 -6.247 -17.622 1.00 0.00 C ATOM 530 C SER A 38 1.914 -7.224 -16.511 1.00 0.00 C ATOM 531 O SER A 38 2.575 -6.815 -15.550 1.00 0.00 O ATOM 532 CB SER A 38 1.702 -6.799 -19.042 1.00 0.00 C ATOM 533 OG SER A 38 0.588 -6.572 -19.900 1.00 0.00 O ATOM 0 H SER A 38 3.091 -5.017 -17.124 1.00 0.00 H new ATOM 0 HA SER A 38 0.366 -6.124 -17.509 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.589 -6.325 -19.462 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.908 -7.868 -18.986 1.00 0.00 H new ATOM 0 HG SER A 38 0.783 -6.931 -20.791 1.00 0.00 H new ATOM 539 N THR A 39 1.586 -8.519 -16.681 1.00 0.00 N ATOM 540 CA THR A 39 1.953 -9.591 -15.719 1.00 0.00 C ATOM 541 C THR A 39 3.409 -10.048 -16.010 1.00 0.00 C ATOM 542 O THR A 39 4.225 -10.177 -15.088 1.00 0.00 O ATOM 543 CB THR A 39 0.936 -10.776 -15.740 1.00 0.00 C ATOM 544 OG1 THR A 39 0.072 -10.681 -16.870 1.00 0.00 O ATOM 545 CG2 THR A 39 0.057 -10.908 -14.482 1.00 0.00 C ATOM 0 H THR A 39 1.060 -8.857 -17.486 1.00 0.00 H new ATOM 0 HA THR A 39 1.906 -9.194 -14.705 1.00 0.00 H new ATOM 0 HB THR A 39 1.567 -11.664 -15.785 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.556 -11.433 -16.866 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.614 -11.759 -14.595 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.692 -11.060 -13.609 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.529 -9.999 -14.351 1.00 0.00 H new ATOM 553 N LYS A 40 3.720 -10.292 -17.297 1.00 0.00 N ATOM 554 CA LYS A 40 5.070 -10.739 -17.733 1.00 0.00 C ATOM 555 C LYS A 40 6.124 -9.725 -17.211 1.00 0.00 C ATOM 556 O LYS A 40 7.112 -10.111 -16.574 1.00 0.00 O ATOM 557 CB LYS A 40 5.079 -10.912 -19.279 1.00 0.00 C ATOM 558 CG LYS A 40 6.234 -11.753 -19.880 1.00 0.00 C ATOM 559 CD LYS A 40 6.396 -11.808 -21.418 1.00 0.00 C ATOM 560 CE LYS A 40 7.651 -12.526 -21.960 1.00 0.00 C ATOM 561 NZ LYS A 40 7.352 -13.594 -22.932 1.00 0.00 N ATOM 0 H LYS A 40 3.054 -10.188 -18.063 1.00 0.00 H new ATOM 0 HA LYS A 40 5.327 -11.711 -17.312 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.135 -11.370 -19.575 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.109 -9.921 -19.732 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.168 -11.376 -19.463 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.117 -12.777 -19.524 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.517 -12.299 -21.835 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.399 -10.786 -21.796 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.304 -11.791 -22.431 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.204 -12.953 -21.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.240 -14.031 -23.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.754 -14.316 -22.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.851 -13.190 -23.749 1.00 0.00 H new ATOM 575 N GLU A 41 5.910 -8.431 -17.514 1.00 0.00 N ATOM 576 CA GLU A 41 6.875 -7.347 -17.192 1.00 0.00 C ATOM 577 C GLU A 41 7.002 -7.216 -15.649 1.00 0.00 C ATOM 578 O GLU A 41 8.106 -7.032 -15.121 1.00 0.00 O ATOM 579 CB GLU A 41 6.468 -6.009 -17.875 1.00 0.00 C ATOM 580 CG GLU A 41 5.015 -5.878 -18.398 1.00 0.00 C ATOM 581 CD GLU A 41 4.725 -4.559 -19.121 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.278 -3.513 -18.718 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.943 -4.565 -20.098 1.00 0.00 O ATOM 0 H GLU A 41 5.069 -8.102 -17.987 1.00 0.00 H new ATOM 0 HA GLU A 41 7.857 -7.601 -17.592 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.642 -5.203 -17.162 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.143 -5.843 -18.715 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.809 -6.705 -19.078 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.328 -5.978 -17.558 1.00 0.00 H new ATOM 590 N LEU A 42 5.857 -7.284 -14.946 1.00 0.00 N ATOM 591 CA LEU A 42 5.788 -7.065 -13.477 1.00 0.00 C ATOM 592 C LEU A 42 6.853 -7.970 -12.801 1.00 0.00 C ATOM 593 O LEU A 42 7.647 -7.506 -11.973 1.00 0.00 O ATOM 594 CB LEU A 42 4.354 -7.357 -12.939 1.00 0.00 C ATOM 595 CG LEU A 42 4.223 -8.354 -11.751 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.677 -7.740 -10.410 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.780 -8.883 -11.623 1.00 0.00 C ATOM 0 H LEU A 42 4.953 -7.491 -15.372 1.00 0.00 H new ATOM 0 HA LEU A 42 6.001 -6.022 -13.241 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.909 -6.410 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.755 -7.738 -13.766 1.00 0.00 H new ATOM 0 HG LEU A 42 4.890 -9.186 -11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.565 -8.478 -9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.723 -7.441 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.065 -6.867 -10.184 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.720 -9.577 -10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.100 -8.048 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.499 -9.398 -12.541 1.00 0.00 H new ATOM 609 N GLY A 43 6.837 -9.273 -13.143 1.00 0.00 N ATOM 610 CA GLY A 43 7.710 -10.290 -12.505 1.00 0.00 C ATOM 611 C GLY A 43 9.185 -9.813 -12.482 1.00 0.00 C ATOM 612 O GLY A 43 9.912 -10.057 -11.510 1.00 0.00 O ATOM 0 H GLY A 43 6.224 -9.653 -13.864 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.369 -10.482 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.636 -11.232 -13.049 1.00 0.00 H new ATOM 616 N THR A 44 9.619 -9.160 -13.576 1.00 0.00 N ATOM 617 CA THR A 44 11.031 -8.736 -13.767 1.00 0.00 C ATOM 618 C THR A 44 11.510 -7.984 -12.495 1.00 0.00 C ATOM 619 O THR A 44 12.557 -8.312 -11.925 1.00 0.00 O ATOM 620 CB THR A 44 11.217 -7.895 -15.069 1.00 0.00 C ATOM 621 OG1 THR A 44 11.078 -8.718 -16.225 1.00 0.00 O ATOM 622 CG2 THR A 44 12.558 -7.144 -15.179 1.00 0.00 C ATOM 0 H THR A 44 9.008 -8.909 -14.354 1.00 0.00 H new ATOM 0 HA THR A 44 11.656 -9.619 -13.903 1.00 0.00 H new ATOM 0 HB THR A 44 10.432 -7.141 -15.011 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.196 -8.173 -17.031 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.589 -6.591 -16.118 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.655 -6.449 -14.345 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.379 -7.860 -15.153 1.00 0.00 H new ATOM 630 N VAL A 45 10.734 -6.967 -12.076 1.00 0.00 N ATOM 631 CA VAL A 45 11.095 -6.066 -10.949 1.00 0.00 C ATOM 632 C VAL A 45 11.100 -6.912 -9.645 1.00 0.00 C ATOM 633 O VAL A 45 11.862 -6.619 -8.712 1.00 0.00 O ATOM 634 CB VAL A 45 10.157 -4.808 -10.882 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.521 -4.603 -9.486 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.844 -3.482 -11.296 1.00 0.00 C ATOM 0 H VAL A 45 9.837 -6.741 -12.505 1.00 0.00 H new ATOM 0 HA VAL A 45 12.092 -5.650 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 45 9.381 -5.039 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.884 -3.719 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.923 -5.476 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.308 -4.469 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.129 -2.663 -11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.688 -3.287 -10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.199 -3.562 -12.323 1.00 0.00 H new ATOM 646 N MET A 46 10.227 -7.933 -9.577 1.00 0.00 N ATOM 647 CA MET A 46 10.076 -8.796 -8.373 1.00 0.00 C ATOM 648 C MET A 46 11.442 -9.475 -8.080 1.00 0.00 C ATOM 649 O MET A 46 11.771 -9.748 -6.917 1.00 0.00 O ATOM 650 CB MET A 46 8.935 -9.835 -8.561 1.00 0.00 C ATOM 651 CG MET A 46 7.534 -9.254 -8.834 1.00 0.00 C ATOM 652 SD MET A 46 6.510 -9.382 -7.351 1.00 0.00 S ATOM 653 CE MET A 46 7.122 -7.989 -6.379 1.00 0.00 C ATOM 0 H MET A 46 9.606 -8.189 -10.345 1.00 0.00 H new ATOM 0 HA MET A 46 9.790 -8.187 -7.515 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.202 -10.493 -9.388 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.882 -10.454 -7.665 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.617 -8.211 -9.139 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.063 -9.790 -9.658 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.397 -7.740 -5.604 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.071 -8.258 -5.916 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.267 -7.127 -7.030 1.00 0.00 H new ATOM 663 N ARG A 47 12.214 -9.769 -9.142 1.00 0.00 N ATOM 664 CA ARG A 47 13.489 -10.529 -9.048 1.00 0.00 C ATOM 665 C ARG A 47 14.598 -9.641 -8.417 1.00 0.00 C ATOM 666 O ARG A 47 15.532 -10.164 -7.795 1.00 0.00 O ATOM 667 CB ARG A 47 13.917 -11.039 -10.454 1.00 0.00 C ATOM 668 CG ARG A 47 15.444 -11.173 -10.658 1.00 0.00 C ATOM 669 CD ARG A 47 15.820 -11.984 -11.914 1.00 0.00 C ATOM 670 NE ARG A 47 14.670 -12.146 -12.841 1.00 0.00 N ATOM 671 CZ ARG A 47 13.860 -13.225 -12.887 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.986 -14.288 -12.094 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.882 -13.228 -13.774 1.00 0.00 N ATOM 0 H ARG A 47 11.977 -9.489 -10.094 1.00 0.00 H new ATOM 0 HA ARG A 47 13.338 -11.395 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.455 -12.010 -10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.522 -10.358 -11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.883 -10.178 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.881 -11.650 -9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.637 -11.486 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.185 -12.967 -11.615 1.00 0.00 H new ATOM 0 HE ARG A 47 14.478 -11.384 -13.492 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.731 -14.320 -11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.338 -15.070 -12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.757 -12.431 -14.398 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.252 -14.028 -13.835 1.00 0.00 H new ATOM 687 N MET A 48 14.501 -8.313 -8.612 1.00 0.00 N ATOM 688 CA MET A 48 15.545 -7.346 -8.175 1.00 0.00 C ATOM 689 C MET A 48 15.924 -7.663 -6.702 1.00 0.00 C ATOM 690 O MET A 48 17.038 -8.127 -6.426 1.00 0.00 O ATOM 691 CB MET A 48 15.078 -5.872 -8.349 1.00 0.00 C ATOM 692 CG MET A 48 15.613 -5.140 -9.594 1.00 0.00 C ATOM 693 SD MET A 48 15.873 -3.391 -9.221 1.00 0.00 S ATOM 694 CE MET A 48 14.285 -2.946 -8.489 1.00 0.00 C ATOM 0 H MET A 48 13.704 -7.874 -9.074 1.00 0.00 H new ATOM 0 HA MET A 48 16.427 -7.455 -8.807 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.989 -5.858 -8.383 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.377 -5.310 -7.464 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.549 -5.594 -9.918 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.907 -5.243 -10.418 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.138 -1.869 -8.566 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.483 -3.461 -9.018 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.273 -3.239 -7.439 1.00 0.00 H new ATOM 704 N LEU A 49 14.999 -7.379 -5.767 1.00 0.00 N ATOM 705 CA LEU A 49 15.246 -7.518 -4.307 1.00 0.00 C ATOM 706 C LEU A 49 15.832 -8.932 -4.048 1.00 0.00 C ATOM 707 O LEU A 49 16.666 -9.125 -3.155 1.00 0.00 O ATOM 708 CB LEU A 49 13.938 -7.275 -3.496 1.00 0.00 C ATOM 709 CG LEU A 49 12.679 -8.097 -3.902 1.00 0.00 C ATOM 710 CD1 LEU A 49 12.769 -9.572 -3.461 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.392 -7.459 -3.342 1.00 0.00 C ATOM 0 H LEU A 49 14.061 -7.048 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 49 15.960 -6.766 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.150 -7.480 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.688 -6.217 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 49 12.641 -8.079 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.866 -10.100 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.638 -10.038 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.867 -9.622 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.530 -8.055 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.447 -7.423 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.287 -6.447 -3.734 1.00 0.00 H new ATOM 723 N GLY A 50 15.403 -9.914 -4.864 1.00 0.00 N ATOM 724 CA GLY A 50 15.948 -11.295 -4.820 1.00 0.00 C ATOM 725 C GLY A 50 14.816 -12.303 -4.496 1.00 0.00 C ATOM 726 O GLY A 50 14.430 -12.469 -3.331 1.00 0.00 O ATOM 0 H GLY A 50 14.676 -9.780 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.405 -11.545 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.732 -11.361 -4.066 1.00 0.00 H new ATOM 730 N GLN A 51 14.286 -12.964 -5.542 1.00 0.00 N ATOM 731 CA GLN A 51 13.156 -13.924 -5.428 1.00 0.00 C ATOM 732 C GLN A 51 13.176 -14.847 -6.677 1.00 0.00 C ATOM 733 O GLN A 51 14.012 -14.676 -7.573 1.00 0.00 O ATOM 734 CB GLN A 51 11.807 -13.163 -5.274 1.00 0.00 C ATOM 735 CG GLN A 51 10.600 -13.992 -4.771 1.00 0.00 C ATOM 736 CD GLN A 51 10.907 -14.906 -3.572 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.727 -14.580 -2.713 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.260 -16.058 -3.482 1.00 0.00 N ATOM 0 H GLN A 51 14.626 -12.851 -6.497 1.00 0.00 H new ATOM 0 HA GLN A 51 13.263 -14.541 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.961 -12.332 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.546 -12.732 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.797 -13.309 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.229 -14.605 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.583 -16.320 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.439 -16.684 -2.696 1.00 0.00 H new ATOM 747 N ASN A 52 12.230 -15.802 -6.734 1.00 0.00 N ATOM 748 CA ASN A 52 12.041 -16.686 -7.914 1.00 0.00 C ATOM 749 C ASN A 52 10.510 -16.959 -8.153 1.00 0.00 C ATOM 750 O ASN A 52 9.987 -17.914 -7.568 1.00 0.00 O ATOM 751 CB ASN A 52 12.853 -17.993 -7.701 1.00 0.00 C ATOM 752 CG ASN A 52 13.482 -18.580 -8.984 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.326 -18.037 -10.077 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.204 -19.686 -8.878 1.00 0.00 N ATOM 0 H ASN A 52 11.576 -15.987 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 52 12.415 -16.200 -8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.647 -17.798 -6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.198 -18.743 -7.258 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.636 -20.094 -9.707 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.328 -20.129 -7.968 1.00 0.00 H new ATOM 761 N PRO A 53 9.751 -16.142 -8.948 1.00 0.00 N ATOM 762 CA PRO A 53 8.287 -16.307 -9.133 1.00 0.00 C ATOM 763 C PRO A 53 7.945 -17.433 -10.146 1.00 0.00 C ATOM 764 O PRO A 53 8.836 -18.135 -10.639 1.00 0.00 O ATOM 765 CB PRO A 53 7.861 -14.897 -9.594 1.00 0.00 C ATOM 766 CG PRO A 53 9.075 -14.310 -10.319 1.00 0.00 C ATOM 767 CD PRO A 53 10.283 -14.929 -9.620 1.00 0.00 C ATOM 0 HA PRO A 53 7.757 -16.631 -8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.997 -14.947 -10.256 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.576 -14.277 -8.744 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.061 -14.560 -11.380 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.091 -13.222 -10.248 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.066 -15.184 -10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.721 -14.238 -8.900 1.00 0.00 H new ATOM 775 N THR A 54 6.643 -17.579 -10.456 1.00 0.00 N ATOM 776 CA THR A 54 6.142 -18.602 -11.413 1.00 0.00 C ATOM 777 C THR A 54 4.987 -17.981 -12.247 1.00 0.00 C ATOM 778 O THR A 54 4.503 -16.883 -11.943 1.00 0.00 O ATOM 779 CB THR A 54 5.726 -19.924 -10.695 1.00 0.00 C ATOM 780 OG1 THR A 54 6.450 -21.033 -11.222 1.00 0.00 O ATOM 781 CG2 THR A 54 4.225 -20.263 -10.762 1.00 0.00 C ATOM 0 H THR A 54 5.906 -16.998 -10.056 1.00 0.00 H new ATOM 0 HA THR A 54 6.946 -18.889 -12.090 1.00 0.00 H new ATOM 0 HB THR A 54 5.966 -19.743 -9.647 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.177 -21.852 -10.758 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.039 -21.199 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.650 -19.463 -10.295 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.922 -20.368 -11.804 1.00 0.00 H new ATOM 789 N LYS A 55 4.576 -18.688 -13.317 1.00 0.00 N ATOM 790 CA LYS A 55 3.562 -18.188 -14.283 1.00 0.00 C ATOM 791 C LYS A 55 2.205 -18.064 -13.539 1.00 0.00 C ATOM 792 O LYS A 55 1.566 -17.005 -13.562 1.00 0.00 O ATOM 793 CB LYS A 55 3.483 -19.133 -15.521 1.00 0.00 C ATOM 794 CG LYS A 55 2.424 -18.798 -16.599 1.00 0.00 C ATOM 795 CD LYS A 55 1.439 -19.942 -16.932 1.00 0.00 C ATOM 796 CE LYS A 55 0.227 -20.046 -15.985 1.00 0.00 C ATOM 797 NZ LYS A 55 -0.948 -19.287 -16.454 1.00 0.00 N ATOM 0 H LYS A 55 4.931 -19.617 -13.541 1.00 0.00 H new ATOM 0 HA LYS A 55 3.839 -17.205 -14.665 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.462 -19.144 -16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.292 -20.145 -15.162 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.851 -17.932 -16.266 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.940 -18.506 -17.514 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.076 -19.805 -17.951 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.981 -20.887 -16.911 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.048 -21.095 -15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.514 -19.684 -14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.727 -19.398 -15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.701 -18.280 -16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.246 -19.647 -17.383 1.00 0.00 H new ATOM 811 N GLU A 56 1.779 -19.161 -12.885 1.00 0.00 N ATOM 812 CA GLU A 56 0.453 -19.247 -12.217 1.00 0.00 C ATOM 813 C GLU A 56 0.439 -18.257 -11.021 1.00 0.00 C ATOM 814 O GLU A 56 -0.504 -17.474 -10.859 1.00 0.00 O ATOM 815 CB GLU A 56 0.147 -20.718 -11.812 1.00 0.00 C ATOM 816 CG GLU A 56 -1.233 -21.278 -12.231 1.00 0.00 C ATOM 817 CD GLU A 56 -1.726 -22.442 -11.367 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.180 -23.561 -11.490 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.660 -22.243 -10.558 1.00 0.00 O ATOM 0 H GLU A 56 2.336 -20.012 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.348 -18.955 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.919 -21.357 -12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.233 -20.798 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.967 -20.473 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.179 -21.608 -13.269 1.00 0.00 H new ATOM 826 N GLU A 57 1.484 -18.329 -10.174 1.00 0.00 N ATOM 827 CA GLU A 57 1.569 -17.530 -8.922 1.00 0.00 C ATOM 828 C GLU A 57 1.499 -16.020 -9.279 1.00 0.00 C ATOM 829 O GLU A 57 0.945 -15.217 -8.518 1.00 0.00 O ATOM 830 CB GLU A 57 2.840 -17.893 -8.101 1.00 0.00 C ATOM 831 CG GLU A 57 2.681 -18.078 -6.571 1.00 0.00 C ATOM 832 CD GLU A 57 3.760 -18.956 -5.929 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.956 -18.596 -6.002 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.416 -20.008 -5.346 1.00 0.00 O ATOM 0 H GLU A 57 2.290 -18.935 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 57 0.723 -17.769 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.251 -18.816 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.582 -17.112 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.695 -17.098 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.704 -18.517 -6.369 1.00 0.00 H new ATOM 841 N LEU A 58 2.093 -15.647 -10.428 1.00 0.00 N ATOM 842 CA LEU A 58 2.209 -14.229 -10.858 1.00 0.00 C ATOM 843 C LEU A 58 0.800 -13.704 -11.246 1.00 0.00 C ATOM 844 O LEU A 58 0.457 -12.549 -10.969 1.00 0.00 O ATOM 845 CB LEU A 58 3.252 -14.142 -12.010 1.00 0.00 C ATOM 846 CG LEU A 58 4.418 -13.129 -11.822 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.778 -13.825 -12.025 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.312 -11.905 -12.757 1.00 0.00 C ATOM 0 H LEU A 58 2.505 -16.310 -11.085 1.00 0.00 H new ATOM 0 HA LEU A 58 2.570 -13.587 -10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.682 -15.133 -12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.724 -13.886 -12.929 1.00 0.00 H new ATOM 0 HG LEU A 58 4.341 -12.760 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.581 -13.101 -11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.888 -14.629 -11.297 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.828 -14.238 -13.032 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.154 -11.236 -12.578 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.327 -12.238 -13.795 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.380 -11.376 -12.559 1.00 0.00 H new ATOM 860 N ASP A 59 -0.005 -14.575 -11.883 1.00 0.00 N ATOM 861 CA ASP A 59 -1.353 -14.216 -12.398 1.00 0.00 C ATOM 862 C ASP A 59 -2.315 -14.018 -11.195 1.00 0.00 C ATOM 863 O ASP A 59 -3.271 -13.236 -11.276 1.00 0.00 O ATOM 864 CB ASP A 59 -1.877 -15.272 -13.416 1.00 0.00 C ATOM 865 CG ASP A 59 -3.251 -14.981 -14.044 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.488 -13.829 -14.472 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.097 -15.900 -14.103 1.00 0.00 O ATOM 0 H ASP A 59 0.254 -15.546 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.295 -13.279 -12.951 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.146 -15.367 -14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.927 -16.238 -12.914 1.00 0.00 H new ATOM 872 N ALA A 60 -2.059 -14.746 -10.093 1.00 0.00 N ATOM 873 CA ALA A 60 -2.831 -14.607 -8.830 1.00 0.00 C ATOM 874 C ALA A 60 -2.407 -13.314 -8.079 1.00 0.00 C ATOM 875 O ALA A 60 -3.199 -12.733 -7.328 1.00 0.00 O ATOM 876 CB ALA A 60 -2.616 -15.867 -7.968 1.00 0.00 C ATOM 0 H ALA A 60 -1.317 -15.445 -10.045 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.895 -14.517 -9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.179 -15.773 -7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.961 -16.745 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.556 -15.975 -7.740 1.00 0.00 H new ATOM 882 N ILE A 61 -1.141 -12.900 -8.274 1.00 0.00 N ATOM 883 CA ILE A 61 -0.577 -11.673 -7.652 1.00 0.00 C ATOM 884 C ILE A 61 -1.370 -10.477 -8.247 1.00 0.00 C ATOM 885 O ILE A 61 -1.663 -9.504 -7.539 1.00 0.00 O ATOM 886 CB ILE A 61 0.986 -11.587 -7.833 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.769 -12.092 -6.580 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.463 -10.159 -8.217 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.674 -11.057 -5.893 1.00 0.00 C ATOM 0 H ILE A 61 -0.477 -13.401 -8.864 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.698 -11.672 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 61 1.213 -12.257 -8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.049 -12.459 -5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.383 -12.942 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.547 -10.155 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.000 -9.861 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.177 -9.457 -7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.168 -11.517 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.426 -10.705 -6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.071 -10.214 -5.555 1.00 0.00 H new ATOM 901 N ILE A 62 -1.705 -10.561 -9.548 1.00 0.00 N ATOM 902 CA ILE A 62 -2.362 -9.460 -10.304 1.00 0.00 C ATOM 903 C ILE A 62 -3.868 -9.500 -9.926 1.00 0.00 C ATOM 904 O ILE A 62 -4.528 -8.454 -9.870 1.00 0.00 O ATOM 905 CB ILE A 62 -2.065 -9.553 -11.848 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.623 -9.076 -12.215 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.111 -8.789 -12.704 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.501 -8.241 -13.500 1.00 0.00 C ATOM 0 H ILE A 62 -1.531 -11.393 -10.112 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.960 -8.484 -10.033 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.140 -10.614 -12.088 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.233 -8.488 -11.384 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.016 -9.954 -12.313 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.858 -8.886 -13.760 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.102 -9.209 -12.528 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.109 -7.735 -12.426 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.542 -7.965 -13.657 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.853 -8.827 -14.349 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.105 -7.339 -13.406 1.00 0.00 H new ATOM 920 N GLU A 63 -4.405 -10.714 -9.700 1.00 0.00 N ATOM 921 CA GLU A 63 -5.834 -10.918 -9.335 1.00 0.00 C ATOM 922 C GLU A 63 -6.200 -9.920 -8.203 1.00 0.00 C ATOM 923 O GLU A 63 -7.317 -9.389 -8.167 1.00 0.00 O ATOM 924 CB GLU A 63 -6.096 -12.405 -8.960 1.00 0.00 C ATOM 925 CG GLU A 63 -7.393 -12.698 -8.169 1.00 0.00 C ATOM 926 CD GLU A 63 -7.810 -14.172 -8.173 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.334 -14.939 -7.306 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.619 -14.570 -9.041 1.00 0.00 O ATOM 0 H GLU A 63 -3.871 -11.581 -9.763 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.485 -10.712 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.117 -12.990 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.250 -12.763 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.258 -12.373 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.203 -12.101 -8.588 1.00 0.00 H new ATOM 935 N GLU A 64 -5.234 -9.655 -7.304 1.00 0.00 N ATOM 936 CA GLU A 64 -5.383 -8.641 -6.226 1.00 0.00 C ATOM 937 C GLU A 64 -5.088 -7.240 -6.831 1.00 0.00 C ATOM 938 O GLU A 64 -4.112 -7.068 -7.570 1.00 0.00 O ATOM 939 CB GLU A 64 -4.476 -9.001 -5.014 1.00 0.00 C ATOM 940 CG GLU A 64 -5.046 -8.692 -3.609 1.00 0.00 C ATOM 941 CD GLU A 64 -4.110 -7.869 -2.719 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.787 -6.716 -3.082 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.695 -8.370 -1.651 1.00 0.00 O ATOM 0 H GLU A 64 -4.332 -10.130 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.401 -8.627 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.248 -10.066 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.532 -8.467 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.988 -8.155 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.273 -9.632 -3.107 1.00 0.00 H new ATOM 950 N VAL A 65 -5.960 -6.260 -6.530 1.00 0.00 N ATOM 951 CA VAL A 65 -5.802 -4.838 -6.936 1.00 0.00 C ATOM 952 C VAL A 65 -6.580 -4.627 -8.263 1.00 0.00 C ATOM 953 O VAL A 65 -7.069 -3.516 -8.528 1.00 0.00 O ATOM 954 CB VAL A 65 -4.294 -4.402 -7.014 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.080 -2.869 -7.066 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.445 -4.966 -5.850 1.00 0.00 C ATOM 0 H VAL A 65 -6.809 -6.429 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.227 -4.183 -6.175 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.959 -4.830 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.013 -2.652 -7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.577 -2.462 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.499 -2.412 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.413 -4.632 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.846 -4.609 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.477 -6.055 -5.871 1.00 0.00 H new ATOM 966 N ASP A 66 -6.692 -5.679 -9.093 1.00 0.00 N ATOM 967 CA ASP A 66 -7.408 -5.615 -10.396 1.00 0.00 C ATOM 968 C ASP A 66 -8.894 -6.007 -10.172 1.00 0.00 C ATOM 969 O ASP A 66 -9.339 -7.082 -10.595 1.00 0.00 O ATOM 970 CB ASP A 66 -6.713 -6.495 -11.476 1.00 0.00 C ATOM 971 CG ASP A 66 -5.706 -5.777 -12.390 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.044 -4.707 -12.942 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.577 -6.287 -12.564 1.00 0.00 O ATOM 0 H ASP A 66 -6.294 -6.596 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.373 -4.596 -10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.197 -7.312 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.485 -6.943 -12.102 1.00 0.00 H new ATOM 978 N GLU A 67 -9.641 -5.132 -9.475 1.00 0.00 N ATOM 979 CA GLU A 67 -11.072 -5.344 -9.136 1.00 0.00 C ATOM 980 C GLU A 67 -11.966 -4.821 -10.292 1.00 0.00 C ATOM 981 O GLU A 67 -13.136 -4.468 -10.061 1.00 0.00 O ATOM 982 CB GLU A 67 -11.398 -4.670 -7.767 1.00 0.00 C ATOM 983 CG GLU A 67 -12.618 -5.228 -6.998 1.00 0.00 C ATOM 984 CD GLU A 67 -12.267 -6.284 -5.945 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.171 -6.882 -6.030 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.087 -6.523 -5.031 1.00 0.00 O ATOM 0 H GLU A 67 -9.271 -4.248 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.280 -6.408 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.521 -4.758 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.561 -3.606 -7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.134 -4.402 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.317 -5.662 -7.713 1.00 0.00 H new ATOM 993 N ASP A 68 -11.431 -4.763 -11.525 1.00 0.00 N ATOM 994 CA ASP A 68 -12.158 -4.239 -12.712 1.00 0.00 C ATOM 995 C ASP A 68 -12.303 -5.381 -13.752 1.00 0.00 C ATOM 996 O ASP A 68 -13.411 -5.859 -14.026 1.00 0.00 O ATOM 997 CB ASP A 68 -11.461 -2.977 -13.300 1.00 0.00 C ATOM 998 CG ASP A 68 -10.055 -2.667 -12.758 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.942 -2.201 -11.603 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.062 -2.895 -13.484 1.00 0.00 O ATOM 0 H ASP A 68 -10.483 -5.076 -11.734 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.154 -3.911 -12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.394 -3.095 -14.382 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.099 -2.114 -13.112 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.166 -5.813 -14.334 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.145 -6.897 -15.348 1.00 0.00 C ATOM 1007 C GLY A 69 -10.244 -6.496 -16.545 1.00 0.00 C ATOM 1008 O GLY A 69 -10.629 -6.662 -17.710 1.00 0.00 O ATOM 0 H GLY A 69 -10.245 -5.429 -14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.775 -7.818 -14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.158 -7.097 -15.697 1.00 0.00 H new ATOM 1012 N SER A 70 -9.045 -5.968 -16.235 1.00 0.00 N ATOM 1013 CA SER A 70 -8.041 -5.564 -17.255 1.00 0.00 C ATOM 1014 C SER A 70 -6.782 -6.464 -17.140 1.00 0.00 C ATOM 1015 O SER A 70 -6.349 -7.088 -18.117 1.00 0.00 O ATOM 1016 CB SER A 70 -7.709 -4.064 -17.085 1.00 0.00 C ATOM 1017 OG SER A 70 -6.877 -3.839 -15.952 1.00 0.00 O ATOM 0 H SER A 70 -8.739 -5.807 -15.275 1.00 0.00 H new ATOM 0 HA SER A 70 -8.446 -5.701 -18.258 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.211 -3.697 -17.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.633 -3.496 -16.978 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.209 -6.539 -15.921 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.012 -7.375 -15.648 1.00 0.00 C ATOM 1025 C GLY A 71 -3.730 -6.502 -15.664 1.00 0.00 C ATOM 1026 O GLY A 71 -2.767 -6.780 -14.938 1.00 0.00 O ATOM 0 H GLY A 71 -6.554 -6.031 -15.106 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.115 -7.864 -14.679 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.932 -8.164 -16.396 1.00 0.00 H new ATOM 1030 N THR A 72 -3.739 -5.449 -16.503 1.00 0.00 N ATOM 1031 CA THR A 72 -2.598 -4.507 -16.650 1.00 0.00 C ATOM 1032 C THR A 72 -2.709 -3.414 -15.552 1.00 0.00 C ATOM 1033 O THR A 72 -3.810 -2.942 -15.240 1.00 0.00 O ATOM 1034 CB THR A 72 -2.511 -3.909 -18.090 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.790 -3.449 -18.522 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.962 -4.866 -19.165 1.00 0.00 C ATOM 0 H THR A 72 -4.534 -5.222 -17.100 1.00 0.00 H new ATOM 0 HA THR A 72 -1.662 -5.048 -16.511 1.00 0.00 H new ATOM 0 HB THR A 72 -1.796 -3.092 -17.996 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.888 -2.499 -18.300 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.941 -4.357 -20.129 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.952 -5.175 -18.896 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.604 -5.744 -19.232 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.562 -3.037 -14.954 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.494 -2.007 -13.883 1.00 0.00 C ATOM 1046 C ILE A 73 -1.099 -0.677 -14.580 1.00 0.00 C ATOM 1047 O ILE A 73 0.088 -0.329 -14.645 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.542 -2.444 -12.706 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.044 -3.724 -11.966 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.296 -1.301 -11.684 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.494 -3.680 -11.458 1.00 0.00 C ATOM 0 H ILE A 73 -0.654 -3.434 -15.195 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.454 -1.873 -13.385 1.00 0.00 H new ATOM 0 HB ILE A 73 0.408 -2.684 -13.183 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.941 -4.574 -12.641 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.387 -3.910 -11.116 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.366 -1.655 -10.894 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.165 -0.453 -12.191 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.246 -0.991 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.734 -4.620 -10.961 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.607 -2.857 -10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.170 -3.531 -12.300 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.105 0.072 -15.070 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.887 1.375 -15.754 1.00 0.00 C ATOM 1065 C ASP A 74 -1.435 2.430 -14.706 1.00 0.00 C ATOM 1066 O ASP A 74 -1.325 2.142 -13.504 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.149 1.824 -16.546 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.050 0.697 -17.079 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.526 -0.383 -17.432 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.284 0.892 -17.151 1.00 0.00 O ATOM 0 H ASP A 74 -3.086 -0.200 -15.007 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.096 1.266 -16.496 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.748 2.466 -15.901 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.826 2.433 -17.390 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.143 3.656 -15.181 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.692 4.778 -14.312 1.00 0.00 C ATOM 1077 C PHE A 75 -1.872 5.200 -13.395 1.00 0.00 C ATOM 1078 O PHE A 75 -1.664 5.619 -12.250 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.166 5.962 -15.175 1.00 0.00 C ATOM 1080 CG PHE A 75 0.693 6.995 -14.420 1.00 0.00 C ATOM 1081 CD1 PHE A 75 2.052 6.749 -14.187 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.122 8.183 -13.946 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.827 7.680 -13.500 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.900 9.112 -13.259 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.253 8.864 -13.044 1.00 0.00 C ATOM 0 H PHE A 75 -1.210 3.903 -16.168 1.00 0.00 H new ATOM 0 HA PHE A 75 0.140 4.458 -13.684 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.422 5.557 -15.998 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.020 6.476 -15.616 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.501 5.833 -14.542 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.927 8.380 -14.114 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.874 7.484 -13.321 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.454 10.025 -12.893 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.858 9.591 -12.523 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.105 5.101 -13.925 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.335 5.548 -13.219 1.00 0.00 C ATOM 1097 C GLU A 76 -4.619 4.592 -12.028 1.00 0.00 C ATOM 1098 O GLU A 76 -5.037 5.032 -10.951 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.538 5.652 -14.201 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.641 6.917 -15.089 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.315 6.675 -16.567 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -4.151 6.344 -16.883 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.223 6.813 -17.417 1.00 0.00 O ATOM 0 H GLU A 76 -3.284 4.711 -14.851 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.183 6.550 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.509 4.783 -14.859 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.455 5.579 -13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.651 7.320 -15.012 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.964 7.677 -14.699 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.372 3.287 -12.242 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.634 2.225 -11.234 1.00 0.00 C ATOM 1112 C GLU A 77 -3.527 2.253 -10.144 1.00 0.00 C ATOM 1113 O GLU A 77 -3.777 1.904 -8.984 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.749 0.820 -11.896 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.429 -0.284 -11.054 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.145 -1.335 -11.907 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.537 -1.021 -13.052 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.314 -2.482 -11.438 1.00 0.00 O ATOM 0 H GLU A 77 -3.985 2.931 -13.116 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.595 2.426 -10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.302 0.927 -12.829 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.746 0.482 -12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.678 -0.776 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.148 0.176 -10.376 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.307 2.663 -10.536 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.139 2.739 -9.617 1.00 0.00 C ATOM 1127 C PHE A 78 -1.418 3.827 -8.545 1.00 0.00 C ATOM 1128 O PHE A 78 -0.975 3.710 -7.396 1.00 0.00 O ATOM 1129 CB PHE A 78 0.170 3.011 -10.419 1.00 0.00 C ATOM 1130 CG PHE A 78 1.461 3.047 -9.575 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.541 2.318 -8.382 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.579 3.765 -10.014 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.716 2.318 -7.635 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.753 3.766 -9.263 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.820 3.044 -8.074 1.00 0.00 C ATOM 0 H PHE A 78 -2.096 2.951 -11.491 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.995 1.787 -9.107 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.276 2.241 -11.183 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.068 3.964 -10.939 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.687 1.753 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.532 4.321 -10.939 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.771 1.755 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.611 4.327 -9.603 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.730 3.047 -7.492 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.131 4.895 -8.948 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.404 6.066 -8.074 1.00 0.00 C ATOM 1147 C LEU A 79 -3.549 5.685 -7.095 1.00 0.00 C ATOM 1148 O LEU A 79 -3.553 6.112 -5.933 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.766 7.322 -8.923 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.612 8.031 -9.689 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.868 9.548 -9.804 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.233 7.780 -9.046 1.00 0.00 C ATOM 0 H LEU A 79 -2.535 4.977 -9.881 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.512 6.324 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.522 7.029 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.229 8.053 -8.260 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.596 7.594 -10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.045 10.016 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.800 9.720 -10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.941 9.981 -8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.536 8.297 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.235 8.155 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.023 6.710 -9.040 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.496 4.855 -7.570 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.663 4.400 -6.767 1.00 0.00 C ATOM 1166 C VAL A 80 -5.119 3.561 -5.578 1.00 0.00 C ATOM 1167 O VAL A 80 -5.598 3.694 -4.444 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.719 3.640 -7.646 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.723 2.783 -6.835 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.527 4.587 -8.565 1.00 0.00 C ATOM 0 H VAL A 80 -4.481 4.478 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.212 5.254 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.106 2.971 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.417 2.292 -7.518 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.180 2.029 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.279 3.424 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.241 4.006 -9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.063 5.315 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.847 5.108 -9.239 1.00 0.00 H new ATOM 1180 N MET A 81 -4.141 2.681 -5.861 1.00 0.00 N ATOM 1181 CA MET A 81 -3.517 1.796 -4.842 1.00 0.00 C ATOM 1182 C MET A 81 -2.886 2.695 -3.744 1.00 0.00 C ATOM 1183 O MET A 81 -3.331 2.689 -2.590 1.00 0.00 O ATOM 1184 CB MET A 81 -2.476 0.836 -5.486 1.00 0.00 C ATOM 1185 CG MET A 81 -2.253 -0.501 -4.754 1.00 0.00 C ATOM 1186 SD MET A 81 -0.939 -0.323 -3.526 1.00 0.00 S ATOM 1187 CE MET A 81 0.525 -0.674 -4.522 1.00 0.00 C ATOM 0 H MET A 81 -3.757 2.558 -6.798 1.00 0.00 H new ATOM 0 HA MET A 81 -4.273 1.154 -4.390 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.791 0.621 -6.507 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.521 1.357 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.176 -0.817 -4.268 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.989 -1.278 -5.471 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.416 -0.602 -3.898 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.452 -1.680 -4.935 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.593 0.048 -5.336 1.00 0.00 H new ATOM 1197 N MET A 82 -1.826 3.436 -4.118 1.00 0.00 N ATOM 1198 CA MET A 82 -1.039 4.263 -3.162 1.00 0.00 C ATOM 1199 C MET A 82 -1.999 5.132 -2.304 1.00 0.00 C ATOM 1200 O MET A 82 -1.685 5.466 -1.155 1.00 0.00 O ATOM 1201 CB MET A 82 -0.002 5.125 -3.936 1.00 0.00 C ATOM 1202 CG MET A 82 1.396 4.499 -4.101 1.00 0.00 C ATOM 1203 SD MET A 82 2.424 4.813 -2.647 1.00 0.00 S ATOM 1204 CE MET A 82 4.042 4.252 -3.215 1.00 0.00 C ATOM 0 H MET A 82 -1.488 3.484 -5.079 1.00 0.00 H new ATOM 0 HA MET A 82 -0.484 3.617 -2.482 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.403 5.340 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.106 6.080 -3.421 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.301 3.425 -4.258 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.879 4.909 -4.988 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.192 3.214 -2.918 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.093 4.330 -4.301 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.819 4.873 -2.770 1.00 0.00 H new ATOM 1214 N VAL A 83 -3.150 5.516 -2.887 1.00 0.00 N ATOM 1215 CA VAL A 83 -4.123 6.441 -2.247 1.00 0.00 C ATOM 1216 C VAL A 83 -4.761 5.695 -1.044 1.00 0.00 C ATOM 1217 O VAL A 83 -4.821 6.230 0.071 1.00 0.00 O ATOM 1218 CB VAL A 83 -5.173 6.992 -3.278 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.587 7.148 -2.667 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.778 8.342 -3.927 1.00 0.00 C ATOM 0 H VAL A 83 -3.437 5.198 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.619 7.334 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.185 6.228 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.270 7.532 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.941 6.178 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.546 7.844 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.556 8.651 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.664 9.099 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.835 8.227 -4.462 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.262 4.471 -1.294 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.008 3.667 -0.289 1.00 0.00 C ATOM 1232 C ARG A 84 -5.172 3.627 1.019 1.00 0.00 C ATOM 1233 O ARG A 84 -5.662 3.999 2.093 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.283 2.234 -0.830 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.544 2.100 -1.714 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.445 0.939 -2.722 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.361 -0.175 -2.371 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.644 -0.270 -2.775 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -10.030 0.207 -3.951 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -10.549 -0.895 -2.034 1.00 0.00 N ATOM 0 H ARG A 84 -5.165 4.005 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.977 4.123 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.417 1.907 -1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.377 1.554 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.415 1.948 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.704 3.033 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.683 1.304 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.420 0.571 -2.753 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.994 -0.922 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.352 0.655 -4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.005 0.126 -4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.279 -1.313 -1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.515 -0.958 -2.354 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.920 3.145 0.916 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.026 2.945 2.087 1.00 0.00 C ATOM 1256 C GLN A 85 -2.698 4.334 2.699 1.00 0.00 C ATOM 1257 O GLN A 85 -2.539 4.466 3.918 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.750 2.164 1.663 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.939 0.662 1.340 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.627 -0.111 1.115 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.467 0.416 1.316 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.704 -1.368 0.702 1.00 0.00 N ATOM 0 H GLN A 85 -3.495 2.882 0.027 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.519 2.342 2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.327 2.652 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.014 2.252 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.487 0.193 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.558 0.570 0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.615 -1.796 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.148 -1.907 0.548 1.00 0.00 H new ATOM 1271 N MET A 86 -2.591 5.357 1.831 1.00 0.00 N ATOM 1272 CA MET A 86 -2.183 6.730 2.232 1.00 0.00 C ATOM 1273 C MET A 86 -3.173 7.225 3.322 1.00 0.00 C ATOM 1274 O MET A 86 -2.789 7.974 4.228 1.00 0.00 O ATOM 1275 CB MET A 86 -2.127 7.685 1.006 1.00 0.00 C ATOM 1276 CG MET A 86 -0.732 8.220 0.636 1.00 0.00 C ATOM 1277 SD MET A 86 -0.831 9.971 0.202 1.00 0.00 S ATOM 1278 CE MET A 86 -2.065 9.939 -1.116 1.00 0.00 C ATOM 0 H MET A 86 -2.783 5.263 0.834 1.00 0.00 H new ATOM 0 HA MET A 86 -1.173 6.719 2.643 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.535 7.161 0.142 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.781 8.535 1.201 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.048 8.083 1.474 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.327 7.652 -0.202 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.103 10.914 -1.603 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.796 9.178 -1.848 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.043 9.706 -0.694 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.450 6.818 3.197 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.529 7.211 4.143 1.00 0.00 C ATOM 1290 C LYS A 87 -5.463 6.271 5.378 1.00 0.00 C ATOM 1291 O LYS A 87 -5.328 5.050 5.235 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.937 7.127 3.489 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.209 8.151 2.362 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.207 7.683 1.282 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.648 7.460 1.782 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.008 6.031 1.766 1.00 0.00 N ATOM 0 H LYS A 87 -4.769 6.210 2.443 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.374 8.249 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.072 6.124 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.689 7.261 4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.587 9.070 2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.263 8.397 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.226 8.422 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.840 6.753 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.748 7.850 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.343 8.019 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.983 5.915 2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.936 5.666 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.359 5.503 2.384 1.00 0.00 H new ATOM 1310 N GLU A 88 -5.562 6.859 6.584 1.00 0.00 N ATOM 1311 CA GLU A 88 -5.517 6.102 7.863 1.00 0.00 C ATOM 1312 C GLU A 88 -6.733 6.531 8.729 1.00 0.00 C ATOM 1313 O GLU A 88 -6.620 6.667 9.953 1.00 0.00 O ATOM 1314 CB GLU A 88 -4.146 6.310 8.568 1.00 0.00 C ATOM 1315 CG GLU A 88 -3.788 5.309 9.692 1.00 0.00 C ATOM 1316 CD GLU A 88 -2.598 5.737 10.557 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -2.429 6.954 10.794 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -1.829 4.858 11.007 1.00 0.00 O ATOM 0 H GLU A 88 -5.675 7.865 6.707 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.597 5.029 7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.363 6.267 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.128 7.316 8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.659 5.173 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.568 4.340 9.244 1.00 0.00 H new ATOM 1325 N ASP A 89 -7.896 6.710 8.076 1.00 0.00 N ATOM 1326 CA ASP A 89 -9.157 7.112 8.754 1.00 0.00 C ATOM 1327 C ASP A 89 -10.339 6.340 8.107 1.00 0.00 C ATOM 1328 O ASP A 89 -10.856 6.740 7.058 1.00 0.00 O ATOM 1329 CB ASP A 89 -9.359 8.655 8.722 1.00 0.00 C ATOM 1330 CG ASP A 89 -8.896 9.424 9.971 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -8.948 8.858 11.086 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -8.483 10.598 9.840 1.00 0.00 O ATOM 0 H ASP A 89 -7.995 6.583 7.069 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.106 6.847 9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.827 9.053 7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -10.418 8.859 8.566 1.00 0.00 H new ATOM 1337 N ALA A 90 -10.770 5.250 8.769 1.00 0.00 N ATOM 1338 CA ALA A 90 -11.894 4.402 8.290 1.00 0.00 C ATOM 1339 C ALA A 90 -12.009 3.170 9.209 1.00 0.00 C ATOM 1340 O ALA A 90 -13.160 2.836 9.630 1.00 0.00 O ATOM 1341 CB ALA A 90 -11.692 4.007 6.813 1.00 0.00 C ATOM 1342 OXT ALA A 90 -10.968 2.514 9.524 1.00 0.00 O ATOM 0 H ALA A 90 -10.357 4.928 9.645 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.829 4.961 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.526 3.387 6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.645 4.906 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.762 3.448 6.710 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.748 -1.984 -20.572 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.317 -2.861 -14.037 1.00 0.00 CA