USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 646 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 47 HIS : no HE2:sc= 0.709 K(o=1.6,f=-5.7!) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.91 K(o=1.6,f=0.76) USER MOD Set 2.1: A 39 GLN : amide:sc= -0.14 K(o=0.93,f=-1.2!) USER MOD Set 2.2: A 43 THR OG1 : rot 97:sc= 1.07 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.1 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 151:sc= -0.146 (180deg=-0.665) USER MOD Single : A 52 SER OG : rot -170:sc= -0.0259 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -81:sc= 1.2 USER MOD Single : A 79 GLN : amide:sc= -1.03 X(o=-1,f=-0.98) USER MOD Single : A 83 SER OG : rot -100:sc= -0.0827 USER MOD Single : A 85 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.18) USER MOD Single : A 88 SER OG : rot 180:sc= -0.273! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -16.638 -6.001 -5.734 1.00 0.00 N ATOM 2 CA MET A 15 -17.609 -5.648 -4.658 1.00 0.00 C ATOM 3 C MET A 15 -16.985 -5.801 -3.265 1.00 0.00 C ATOM 4 O MET A 15 -16.645 -4.807 -2.625 1.00 0.00 O ATOM 5 CB MET A 15 -18.849 -6.544 -4.796 1.00 0.00 C ATOM 6 CG MET A 15 -20.008 -5.876 -5.522 1.00 0.00 C ATOM 7 SD MET A 15 -19.550 -5.276 -7.160 1.00 0.00 S ATOM 8 CE MET A 15 -21.152 -5.211 -7.959 1.00 0.00 C ATOM 0 HA MET A 15 -17.894 -4.602 -4.768 1.00 0.00 H new ATOM 0 HB2 MET A 15 -18.572 -7.453 -5.331 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.180 -6.847 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.830 -6.586 -5.616 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.374 -5.042 -4.923 1.00 0.00 H new ATOM 0 HE1 MET A 15 -21.034 -4.857 -8.983 1.00 0.00 H new ATOM 0 HE2 MET A 15 -21.595 -6.207 -7.968 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.804 -4.529 -7.412 1.00 0.00 H new ATOM 18 N MET A 16 -16.838 -7.046 -2.803 1.00 0.00 N ATOM 19 CA MET A 16 -16.256 -7.315 -1.486 1.00 0.00 C ATOM 20 C MET A 16 -14.930 -8.072 -1.604 1.00 0.00 C ATOM 21 O MET A 16 -14.664 -8.723 -2.617 1.00 0.00 O ATOM 22 CB MET A 16 -17.242 -8.118 -0.631 1.00 0.00 C ATOM 23 CG MET A 16 -18.283 -7.259 0.071 1.00 0.00 C ATOM 24 SD MET A 16 -19.555 -6.654 -1.054 1.00 0.00 S ATOM 25 CE MET A 16 -19.902 -5.049 -0.341 1.00 0.00 C ATOM 0 H MET A 16 -17.113 -7.881 -3.320 1.00 0.00 H new ATOM 0 HA MET A 16 -16.055 -6.357 -1.006 1.00 0.00 H new ATOM 0 HB2 MET A 16 -17.751 -8.845 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 16 -16.685 -8.682 0.117 1.00 0.00 H new ATOM 0 HG2 MET A 16 -18.752 -7.840 0.865 1.00 0.00 H new ATOM 0 HG3 MET A 16 -17.789 -6.411 0.545 1.00 0.00 H new ATOM 0 HE1 MET A 16 -20.673 -4.549 -0.928 1.00 0.00 H new ATOM 0 HE2 MET A 16 -20.251 -5.174 0.684 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.994 -4.445 -0.345 1.00 0.00 H new ATOM 35 N LYS A 17 -14.108 -7.987 -0.557 1.00 0.00 N ATOM 36 CA LYS A 17 -12.813 -8.668 -0.534 1.00 0.00 C ATOM 37 C LYS A 17 -13.000 -10.184 -0.446 1.00 0.00 C ATOM 38 O LYS A 17 -13.218 -10.736 0.634 1.00 0.00 O ATOM 39 CB LYS A 17 -11.965 -8.170 0.642 1.00 0.00 C ATOM 40 CG LYS A 17 -11.000 -7.054 0.269 1.00 0.00 C ATOM 41 CD LYS A 17 -10.286 -6.498 1.495 1.00 0.00 C ATOM 42 CE LYS A 17 -10.363 -4.980 1.552 1.00 0.00 C ATOM 43 NZ LYS A 17 -11.425 -4.512 2.488 1.00 0.00 N ATOM 0 H LYS A 17 -14.316 -7.453 0.287 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.292 -8.438 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.627 -7.817 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.399 -9.007 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.264 -7.431 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.545 -6.253 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.731 -6.919 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.241 -6.809 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.399 -4.579 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.560 -4.589 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.445 -3.472 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.348 -4.873 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.223 -4.864 3.446 1.00 0.00 H new ATOM 57 N LEU A 18 -12.925 -10.853 -1.595 1.00 0.00 N ATOM 58 CA LEU A 18 -13.097 -12.305 -1.653 1.00 0.00 C ATOM 59 C LEU A 18 -11.790 -13.042 -1.333 1.00 0.00 C ATOM 60 O LEU A 18 -11.198 -13.690 -2.205 1.00 0.00 O ATOM 61 CB LEU A 18 -13.629 -12.720 -3.031 1.00 0.00 C ATOM 62 CG LEU A 18 -14.945 -13.496 -3.010 1.00 0.00 C ATOM 63 CD1 LEU A 18 -16.121 -12.548 -2.859 1.00 0.00 C ATOM 64 CD2 LEU A 18 -15.093 -14.329 -4.273 1.00 0.00 C ATOM 0 H LEU A 18 -12.746 -10.414 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.825 -12.587 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.763 -11.824 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.873 -13.330 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.933 -14.169 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.049 -13.119 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.023 -11.993 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.136 -11.850 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.036 -14.875 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.083 -13.674 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.267 -15.036 -4.341 1.00 0.00 H new ATOM 76 N GLY A 19 -11.353 -12.952 -0.072 1.00 0.00 N ATOM 77 CA GLY A 19 -10.128 -13.625 0.357 1.00 0.00 C ATOM 78 C GLY A 19 -10.265 -15.137 0.339 1.00 0.00 C ATOM 79 O GLY A 19 -10.225 -15.789 1.382 1.00 0.00 O ATOM 0 H GLY A 19 -11.826 -12.424 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.306 -13.329 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.870 -13.298 1.364 1.00 0.00 H new ATOM 83 N LEU A 20 -10.440 -15.692 -0.857 1.00 0.00 N ATOM 84 CA LEU A 20 -10.597 -17.137 -1.037 1.00 0.00 C ATOM 85 C LEU A 20 -10.235 -17.566 -2.464 1.00 0.00 C ATOM 86 O LEU A 20 -9.589 -18.596 -2.661 1.00 0.00 O ATOM 87 CB LEU A 20 -12.032 -17.565 -0.701 1.00 0.00 C ATOM 88 CG LEU A 20 -13.139 -16.798 -1.432 1.00 0.00 C ATOM 89 CD1 LEU A 20 -13.661 -17.604 -2.609 1.00 0.00 C ATOM 90 CD2 LEU A 20 -14.272 -16.464 -0.476 1.00 0.00 C ATOM 0 H LEU A 20 -10.477 -15.159 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.909 -17.634 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -12.138 -18.626 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -12.184 -17.452 0.372 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.718 -15.867 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.446 -17.042 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.847 -17.798 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.065 -18.551 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.050 -15.919 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.688 -17.386 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.891 -15.847 0.338 1.00 0.00 H new ATOM 102 N VAL A 21 -10.652 -16.770 -3.453 1.00 0.00 N ATOM 103 CA VAL A 21 -10.365 -17.065 -4.857 1.00 0.00 C ATOM 104 C VAL A 21 -8.859 -17.199 -5.099 1.00 0.00 C ATOM 105 O VAL A 21 -8.058 -16.451 -4.534 1.00 0.00 O ATOM 106 CB VAL A 21 -10.929 -15.973 -5.796 1.00 0.00 C ATOM 107 CG1 VAL A 21 -12.450 -15.994 -5.796 1.00 0.00 C ATOM 108 CG2 VAL A 21 -10.416 -14.595 -5.400 1.00 0.00 C ATOM 0 H VAL A 21 -11.190 -15.916 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.854 -18.013 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.581 -16.189 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.825 -15.218 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.800 -16.967 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.816 -15.812 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.827 -13.845 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.725 -14.371 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.328 -14.580 -5.461 1.00 0.00 H new ATOM 118 N ARG A 22 -8.480 -18.154 -5.947 1.00 0.00 N ATOM 119 CA ARG A 22 -7.069 -18.387 -6.266 1.00 0.00 C ATOM 120 C ARG A 22 -6.504 -17.260 -7.142 1.00 0.00 C ATOM 121 O ARG A 22 -6.089 -17.490 -8.278 1.00 0.00 O ATOM 122 CB ARG A 22 -6.903 -19.740 -6.968 1.00 0.00 C ATOM 123 CG ARG A 22 -7.086 -20.935 -6.045 1.00 0.00 C ATOM 124 CD ARG A 22 -7.088 -22.241 -6.821 1.00 0.00 C ATOM 125 NE ARG A 22 -8.440 -22.636 -7.229 1.00 0.00 N ATOM 126 CZ ARG A 22 -8.712 -23.666 -8.023 1.00 0.00 C ATOM 127 NH1 ARG A 22 -7.742 -24.422 -8.501 1.00 0.00 N ATOM 128 NH2 ARG A 22 -9.963 -23.940 -8.337 1.00 0.00 N ATOM 0 H ARG A 22 -9.128 -18.779 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.508 -18.399 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.624 -19.808 -7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.911 -19.787 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.286 -20.951 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.023 -20.834 -5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.458 -22.138 -7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.650 -23.028 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.223 -22.084 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.772 -24.218 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.963 -25.210 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.719 -23.362 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.175 -24.730 -8.946 1.00 0.00 H new ATOM 142 N PHE A 23 -6.496 -16.042 -6.603 1.00 0.00 N ATOM 143 CA PHE A 23 -5.987 -14.879 -7.329 1.00 0.00 C ATOM 144 C PHE A 23 -4.728 -14.322 -6.658 1.00 0.00 C ATOM 145 O PHE A 23 -4.663 -13.138 -6.310 1.00 0.00 O ATOM 146 CB PHE A 23 -7.073 -13.801 -7.422 1.00 0.00 C ATOM 147 CG PHE A 23 -7.992 -13.975 -8.599 1.00 0.00 C ATOM 148 CD1 PHE A 23 -8.756 -15.122 -8.737 1.00 0.00 C ATOM 149 CD2 PHE A 23 -8.086 -12.991 -9.571 1.00 0.00 C ATOM 150 CE1 PHE A 23 -9.599 -15.285 -9.819 1.00 0.00 C ATOM 151 CE2 PHE A 23 -8.926 -13.149 -10.656 1.00 0.00 C ATOM 152 CZ PHE A 23 -9.684 -14.297 -10.780 1.00 0.00 C ATOM 0 H PHE A 23 -6.837 -15.834 -5.664 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.717 -15.192 -8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.663 -13.811 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.598 -12.822 -7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.692 -15.899 -7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.496 -12.091 -9.479 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.191 -16.184 -9.913 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.990 -12.375 -11.407 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.342 -14.422 -11.627 1.00 0.00 H new ATOM 162 N SER A 24 -3.730 -15.193 -6.483 1.00 0.00 N ATOM 163 CA SER A 24 -2.457 -14.820 -5.856 1.00 0.00 C ATOM 164 C SER A 24 -1.926 -13.500 -6.415 1.00 0.00 C ATOM 165 O SER A 24 -1.907 -13.293 -7.631 1.00 0.00 O ATOM 166 CB SER A 24 -1.420 -15.928 -6.063 1.00 0.00 C ATOM 167 OG SER A 24 -2.048 -17.167 -6.366 1.00 0.00 O ATOM 0 H SER A 24 -3.780 -16.171 -6.770 1.00 0.00 H new ATOM 0 HA SER A 24 -2.637 -14.689 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.745 -15.652 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.813 -16.035 -5.164 1.00 0.00 H new ATOM 0 HG SER A 24 -1.364 -17.857 -6.495 1.00 0.00 H new ATOM 173 N MET A 25 -1.501 -12.610 -5.518 1.00 0.00 N ATOM 174 CA MET A 25 -0.973 -11.297 -5.904 1.00 0.00 C ATOM 175 C MET A 25 -2.078 -10.393 -6.448 1.00 0.00 C ATOM 176 O MET A 25 -2.351 -9.332 -5.882 1.00 0.00 O ATOM 177 CB MET A 25 0.153 -11.449 -6.936 1.00 0.00 C ATOM 178 CG MET A 25 1.328 -10.515 -6.696 1.00 0.00 C ATOM 179 SD MET A 25 2.920 -11.339 -6.896 1.00 0.00 S ATOM 180 CE MET A 25 3.039 -12.224 -5.343 1.00 0.00 C ATOM 0 H MET A 25 -1.512 -12.774 -4.511 1.00 0.00 H new ATOM 0 HA MET A 25 -0.564 -10.827 -5.010 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.510 -12.479 -6.923 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.250 -11.264 -7.932 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.268 -9.676 -7.389 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.260 -10.103 -5.689 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.973 -12.784 -5.314 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.016 -11.514 -4.517 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.200 -12.913 -5.252 1.00 0.00 H new ATOM 190 N LEU A 26 -2.715 -10.821 -7.539 1.00 0.00 N ATOM 191 CA LEU A 26 -3.798 -10.057 -8.161 1.00 0.00 C ATOM 192 C LEU A 26 -4.815 -9.572 -7.125 1.00 0.00 C ATOM 193 O LEU A 26 -5.167 -8.394 -7.101 1.00 0.00 O ATOM 194 CB LEU A 26 -4.501 -10.907 -9.225 1.00 0.00 C ATOM 195 CG LEU A 26 -3.659 -11.222 -10.463 1.00 0.00 C ATOM 196 CD1 LEU A 26 -4.090 -12.542 -11.077 1.00 0.00 C ATOM 197 CD2 LEU A 26 -3.765 -10.100 -11.480 1.00 0.00 C ATOM 0 H LEU A 26 -2.498 -11.698 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.355 -9.179 -8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.814 -11.846 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.406 -10.389 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.616 -11.309 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.481 -12.750 -11.956 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.960 -13.342 -10.348 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.139 -12.483 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.159 -10.342 -12.353 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.805 -9.980 -11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.406 -9.171 -11.036 1.00 0.00 H new ATOM 209 N LEU A 27 -5.279 -10.482 -6.265 1.00 0.00 N ATOM 210 CA LEU A 27 -6.255 -10.130 -5.227 1.00 0.00 C ATOM 211 C LEU A 27 -5.798 -8.913 -4.408 1.00 0.00 C ATOM 212 O LEU A 27 -6.600 -8.024 -4.105 1.00 0.00 O ATOM 213 CB LEU A 27 -6.527 -11.336 -4.313 1.00 0.00 C ATOM 214 CG LEU A 27 -5.576 -11.514 -3.124 1.00 0.00 C ATOM 215 CD1 LEU A 27 -6.229 -12.366 -2.049 1.00 0.00 C ATOM 216 CD2 LEU A 27 -4.266 -12.142 -3.573 1.00 0.00 C ATOM 0 H LEU A 27 -4.998 -11.462 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.185 -9.855 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.544 -11.252 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.490 -12.241 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.360 -10.530 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.542 -12.484 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.142 -11.880 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.472 -13.346 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.606 -12.259 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.463 -13.119 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.789 -11.499 -4.312 1.00 0.00 H new ATOM 228 N ALA A 28 -4.506 -8.867 -4.065 1.00 0.00 N ATOM 229 CA ALA A 28 -3.955 -7.754 -3.294 1.00 0.00 C ATOM 230 C ALA A 28 -4.213 -6.411 -3.982 1.00 0.00 C ATOM 231 O ALA A 28 -4.408 -5.390 -3.311 1.00 0.00 O ATOM 232 CB ALA A 28 -2.465 -7.959 -3.058 1.00 0.00 C ATOM 0 H ALA A 28 -3.826 -9.587 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.463 -7.732 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.069 -7.122 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.308 -8.885 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.949 -8.016 -4.017 1.00 0.00 H new ATOM 238 N LEU A 29 -4.236 -6.422 -5.320 1.00 0.00 N ATOM 239 CA LEU A 29 -4.493 -5.205 -6.094 1.00 0.00 C ATOM 240 C LEU A 29 -5.757 -4.503 -5.596 1.00 0.00 C ATOM 241 O LEU A 29 -5.831 -3.272 -5.593 1.00 0.00 O ATOM 242 CB LEU A 29 -4.619 -5.530 -7.589 1.00 0.00 C ATOM 243 CG LEU A 29 -3.857 -4.592 -8.531 1.00 0.00 C ATOM 244 CD1 LEU A 29 -4.389 -3.174 -8.421 1.00 0.00 C ATOM 245 CD2 LEU A 29 -2.368 -4.627 -8.232 1.00 0.00 C ATOM 0 H LEU A 29 -4.080 -7.256 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.647 -4.532 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.266 -6.548 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.675 -5.511 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.010 -4.937 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.835 -2.524 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.446 -3.160 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.269 -2.819 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.845 -3.954 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.196 -4.310 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.994 -5.642 -8.366 1.00 0.00 H new ATOM 257 N ALA A 30 -6.741 -5.292 -5.147 1.00 0.00 N ATOM 258 CA ALA A 30 -7.989 -4.742 -4.624 1.00 0.00 C ATOM 259 C ALA A 30 -7.715 -3.835 -3.422 1.00 0.00 C ATOM 260 O ALA A 30 -8.311 -2.764 -3.292 1.00 0.00 O ATOM 261 CB ALA A 30 -8.942 -5.869 -4.243 1.00 0.00 C ATOM 0 H ALA A 30 -6.693 -6.311 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.458 -4.140 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.869 -5.446 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.160 -6.474 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.480 -6.494 -3.479 1.00 0.00 H new ATOM 267 N LEU A 31 -6.791 -4.263 -2.558 1.00 0.00 N ATOM 268 CA LEU A 31 -6.416 -3.486 -1.379 1.00 0.00 C ATOM 269 C LEU A 31 -5.607 -2.262 -1.793 1.00 0.00 C ATOM 270 O LEU A 31 -5.870 -1.151 -1.331 1.00 0.00 O ATOM 271 CB LEU A 31 -5.618 -4.350 -0.398 1.00 0.00 C ATOM 272 CG LEU A 31 -6.382 -5.543 0.183 1.00 0.00 C ATOM 273 CD1 LEU A 31 -6.019 -6.820 -0.554 1.00 0.00 C ATOM 274 CD2 LEU A 31 -6.094 -5.687 1.667 1.00 0.00 C ATOM 0 H LEU A 31 -6.289 -5.146 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.324 -3.151 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.727 -4.720 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.278 -3.720 0.424 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.449 -5.363 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.572 -7.656 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.275 -6.717 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.949 -7.005 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.645 -6.540 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.026 -5.844 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.404 -4.781 2.187 1.00 0.00 H new ATOM 286 N VAL A 32 -4.638 -2.471 -2.688 1.00 0.00 N ATOM 287 CA VAL A 32 -3.809 -1.374 -3.190 1.00 0.00 C ATOM 288 C VAL A 32 -4.698 -0.280 -3.781 1.00 0.00 C ATOM 289 O VAL A 32 -4.617 0.889 -3.385 1.00 0.00 O ATOM 290 CB VAL A 32 -2.802 -1.858 -4.260 1.00 0.00 C ATOM 291 CG1 VAL A 32 -1.899 -0.720 -4.707 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.970 -3.018 -3.731 1.00 0.00 C ATOM 0 H VAL A 32 -4.409 -3.385 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.240 -0.978 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.369 -2.205 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.200 -1.085 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.505 0.080 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.344 -0.338 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.269 -3.343 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.418 -2.697 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.627 -3.846 -3.466 1.00 0.00 H new ATOM 302 N VAL A 33 -5.577 -0.678 -4.708 1.00 0.00 N ATOM 303 CA VAL A 33 -6.515 0.254 -5.327 1.00 0.00 C ATOM 304 C VAL A 33 -7.357 0.931 -4.248 1.00 0.00 C ATOM 305 O VAL A 33 -7.510 2.154 -4.244 1.00 0.00 O ATOM 306 CB VAL A 33 -7.444 -0.459 -6.339 1.00 0.00 C ATOM 307 CG1 VAL A 33 -8.653 0.402 -6.674 1.00 0.00 C ATOM 308 CG2 VAL A 33 -6.681 -0.815 -7.604 1.00 0.00 C ATOM 0 H VAL A 33 -5.655 -1.638 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.935 1.001 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.801 -1.379 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.288 -0.124 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.219 0.604 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.320 1.343 -7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.350 -1.316 -8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.291 0.094 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.854 -1.479 -7.355 1.00 0.00 H new ATOM 318 N LEU A 34 -7.881 0.122 -3.318 1.00 0.00 N ATOM 319 CA LEU A 34 -8.686 0.638 -2.214 1.00 0.00 C ATOM 320 C LEU A 34 -7.923 1.725 -1.461 1.00 0.00 C ATOM 321 O LEU A 34 -8.466 2.793 -1.187 1.00 0.00 O ATOM 322 CB LEU A 34 -9.071 -0.493 -1.256 1.00 0.00 C ATOM 323 CG LEU A 34 -10.250 -0.184 -0.333 1.00 0.00 C ATOM 324 CD1 LEU A 34 -11.551 -0.661 -0.954 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.044 -0.828 1.028 1.00 0.00 C ATOM 0 H LEU A 34 -7.760 -0.891 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.597 1.071 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.311 -1.380 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.204 -0.741 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.307 0.896 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.379 -0.433 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.706 -0.156 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.503 -1.738 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.893 -0.597 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.961 -1.908 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.131 -0.441 1.479 1.00 0.00 H new ATOM 337 N ALA A 35 -6.651 1.453 -1.149 1.00 0.00 N ATOM 338 CA ALA A 35 -5.806 2.418 -0.450 1.00 0.00 C ATOM 339 C ALA A 35 -5.735 3.729 -1.231 1.00 0.00 C ATOM 340 O ALA A 35 -5.941 4.807 -0.670 1.00 0.00 O ATOM 341 CB ALA A 35 -4.412 1.843 -0.234 1.00 0.00 C ATOM 0 H ALA A 35 -6.187 0.572 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.247 2.625 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.794 2.574 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.482 0.934 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.961 1.609 -1.199 1.00 0.00 H new ATOM 347 N ILE A 36 -5.468 3.625 -2.537 1.00 0.00 N ATOM 348 CA ILE A 36 -5.400 4.802 -3.403 1.00 0.00 C ATOM 349 C ILE A 36 -6.739 5.543 -3.399 1.00 0.00 C ATOM 350 O ILE A 36 -6.788 6.762 -3.207 1.00 0.00 O ATOM 351 CB ILE A 36 -5.028 4.422 -4.855 1.00 0.00 C ATOM 352 CG1 ILE A 36 -3.706 3.648 -4.888 1.00 0.00 C ATOM 353 CG2 ILE A 36 -4.930 5.667 -5.726 1.00 0.00 C ATOM 354 CD1 ILE A 36 -3.541 2.787 -6.123 1.00 0.00 C ATOM 0 H ILE A 36 -5.296 2.740 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.619 5.452 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.816 3.781 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.878 4.355 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.642 3.016 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.667 5.379 -6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.890 6.184 -5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.163 6.331 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.583 2.268 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.348 2.056 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.573 3.417 -7.012 1.00 0.00 H new ATOM 366 N VAL A 37 -7.827 4.793 -3.591 1.00 0.00 N ATOM 367 CA VAL A 37 -9.175 5.366 -3.591 1.00 0.00 C ATOM 368 C VAL A 37 -9.441 6.095 -2.275 1.00 0.00 C ATOM 369 O VAL A 37 -9.867 7.249 -2.272 1.00 0.00 O ATOM 370 CB VAL A 37 -10.256 4.283 -3.810 1.00 0.00 C ATOM 371 CG1 VAL A 37 -11.652 4.854 -3.600 1.00 0.00 C ATOM 372 CG2 VAL A 37 -10.135 3.681 -5.202 1.00 0.00 C ATOM 0 H VAL A 37 -7.800 3.786 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.229 6.073 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.096 3.495 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.393 4.071 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.740 5.234 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.823 5.666 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.904 2.921 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.263 4.464 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.151 3.226 -5.318 1.00 0.00 H new ATOM 382 N VAL A 38 -9.165 5.418 -1.158 1.00 0.00 N ATOM 383 CA VAL A 38 -9.353 6.011 0.165 1.00 0.00 C ATOM 384 C VAL A 38 -8.501 7.272 0.303 1.00 0.00 C ATOM 385 O VAL A 38 -8.993 8.320 0.719 1.00 0.00 O ATOM 386 CB VAL A 38 -8.990 5.015 1.292 1.00 0.00 C ATOM 387 CG1 VAL A 38 -9.038 5.697 2.652 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.921 3.811 1.268 1.00 0.00 C ATOM 0 H VAL A 38 -8.812 4.461 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.408 6.268 0.264 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.972 4.666 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.779 4.978 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.327 6.523 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.043 6.080 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.648 3.124 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.949 4.143 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.834 3.303 0.308 1.00 0.00 H new ATOM 398 N GLN A 39 -7.224 7.163 -0.077 1.00 0.00 N ATOM 399 CA GLN A 39 -6.300 8.298 -0.021 1.00 0.00 C ATOM 400 C GLN A 39 -6.861 9.482 -0.813 1.00 0.00 C ATOM 401 O GLN A 39 -6.873 10.619 -0.329 1.00 0.00 O ATOM 402 CB GLN A 39 -4.931 7.890 -0.575 1.00 0.00 C ATOM 403 CG GLN A 39 -3.784 8.773 -0.099 1.00 0.00 C ATOM 404 CD GLN A 39 -2.986 9.362 -1.242 1.00 0.00 C ATOM 405 OE1 GLN A 39 -1.958 8.819 -1.643 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.454 10.479 -1.779 1.00 0.00 N ATOM 0 H GLN A 39 -6.808 6.300 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.182 8.602 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.726 6.859 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.968 7.916 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.183 9.581 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.121 8.188 0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.311 10.899 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.958 10.919 -2.554 1.00 0.00 H new ATOM 415 N MET A 40 -7.339 9.205 -2.029 1.00 0.00 N ATOM 416 CA MET A 40 -7.920 10.240 -2.881 1.00 0.00 C ATOM 417 C MET A 40 -9.191 10.808 -2.243 1.00 0.00 C ATOM 418 O MET A 40 -9.354 12.025 -2.141 1.00 0.00 O ATOM 419 CB MET A 40 -8.232 9.675 -4.273 1.00 0.00 C ATOM 420 CG MET A 40 -7.790 10.577 -5.413 1.00 0.00 C ATOM 421 SD MET A 40 -9.119 10.920 -6.583 1.00 0.00 S ATOM 422 CE MET A 40 -9.633 12.551 -6.045 1.00 0.00 C ATOM 0 H MET A 40 -7.334 8.273 -2.443 1.00 0.00 H new ATOM 0 HA MET A 40 -7.194 11.046 -2.987 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.745 8.706 -4.379 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.305 9.503 -4.353 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.419 11.517 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.959 10.109 -5.940 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.452 12.901 -6.674 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.967 12.504 -5.008 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.794 13.242 -6.125 1.00 0.00 H new ATOM 432 N ALA A 41 -10.077 9.914 -1.797 1.00 0.00 N ATOM 433 CA ALA A 41 -11.325 10.315 -1.149 1.00 0.00 C ATOM 434 C ALA A 41 -11.044 11.241 0.034 1.00 0.00 C ATOM 435 O ALA A 41 -11.555 12.363 0.090 1.00 0.00 O ATOM 436 CB ALA A 41 -12.105 9.085 -0.698 1.00 0.00 C ATOM 0 H ALA A 41 -9.951 8.905 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.931 10.862 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.032 9.398 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.337 8.464 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.505 8.513 0.009 1.00 0.00 H new ATOM 442 N VAL A 42 -10.203 10.776 0.963 1.00 0.00 N ATOM 443 CA VAL A 42 -9.826 11.577 2.129 1.00 0.00 C ATOM 444 C VAL A 42 -9.279 12.930 1.673 1.00 0.00 C ATOM 445 O VAL A 42 -9.658 13.979 2.201 1.00 0.00 O ATOM 446 CB VAL A 42 -8.767 10.856 2.994 1.00 0.00 C ATOM 447 CG1 VAL A 42 -8.327 11.733 4.158 1.00 0.00 C ATOM 448 CG2 VAL A 42 -9.305 9.527 3.506 1.00 0.00 C ATOM 0 H VAL A 42 -9.772 9.852 0.930 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.719 11.723 2.737 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.898 10.659 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.582 11.203 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.895 12.657 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.189 11.967 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.544 9.036 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.194 9.703 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.563 8.889 2.661 1.00 0.00 H new ATOM 458 N THR A 43 -8.409 12.893 0.659 1.00 0.00 N ATOM 459 CA THR A 43 -7.824 14.111 0.092 1.00 0.00 C ATOM 460 C THR A 43 -8.929 15.039 -0.412 1.00 0.00 C ATOM 461 O THR A 43 -8.913 16.236 -0.140 1.00 0.00 O ATOM 462 CB THR A 43 -6.865 13.767 -1.056 1.00 0.00 C ATOM 463 OG1 THR A 43 -5.880 12.838 -0.635 1.00 0.00 O ATOM 464 CG2 THR A 43 -6.136 14.971 -1.607 1.00 0.00 C ATOM 0 H THR A 43 -8.094 12.031 0.214 1.00 0.00 H new ATOM 0 HA THR A 43 -7.260 14.619 0.875 1.00 0.00 H new ATOM 0 HB THR A 43 -7.499 13.347 -1.837 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.154 11.932 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.475 14.658 -2.415 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.860 15.691 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.547 15.434 -0.815 1.00 0.00 H new ATOM 472 N MET A 44 -9.899 14.467 -1.131 1.00 0.00 N ATOM 473 CA MET A 44 -11.030 15.231 -1.658 1.00 0.00 C ATOM 474 C MET A 44 -11.851 15.830 -0.514 1.00 0.00 C ATOM 475 O MET A 44 -12.236 16.999 -0.559 1.00 0.00 O ATOM 476 CB MET A 44 -11.918 14.336 -2.531 1.00 0.00 C ATOM 477 CG MET A 44 -12.654 15.089 -3.629 1.00 0.00 C ATOM 478 SD MET A 44 -14.416 15.260 -3.291 1.00 0.00 S ATOM 479 CE MET A 44 -14.531 17.019 -2.972 1.00 0.00 C ATOM 0 H MET A 44 -9.922 13.474 -1.361 1.00 0.00 H new ATOM 0 HA MET A 44 -10.640 16.044 -2.271 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.302 13.560 -2.985 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.647 13.833 -1.896 1.00 0.00 H new ATOM 0 HG2 MET A 44 -12.212 16.079 -3.745 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.519 14.567 -4.576 1.00 0.00 H new ATOM 0 HE1 MET A 44 -15.523 17.375 -3.250 1.00 0.00 H new ATOM 0 HE2 MET A 44 -14.362 17.208 -1.912 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.779 17.545 -3.559 1.00 0.00 H new ATOM 489 N VAL A 45 -12.101 15.022 0.519 1.00 0.00 N ATOM 490 CA VAL A 45 -12.857 15.475 1.686 1.00 0.00 C ATOM 491 C VAL A 45 -12.150 16.655 2.359 1.00 0.00 C ATOM 492 O VAL A 45 -12.783 17.653 2.710 1.00 0.00 O ATOM 493 CB VAL A 45 -13.046 14.334 2.712 1.00 0.00 C ATOM 494 CG1 VAL A 45 -13.662 14.857 4.001 1.00 0.00 C ATOM 495 CG2 VAL A 45 -13.907 13.225 2.127 1.00 0.00 C ATOM 0 H VAL A 45 -11.791 14.052 0.570 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.839 15.793 1.336 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.063 13.925 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.784 14.034 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.009 15.613 4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.635 15.298 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.028 12.431 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.885 13.626 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.425 12.822 1.236 1.00 0.00 H new ATOM 505 N LEU A 46 -10.831 16.535 2.526 1.00 0.00 N ATOM 506 CA LEU A 46 -10.032 17.594 3.144 1.00 0.00 C ATOM 507 C LEU A 46 -9.856 18.773 2.182 1.00 0.00 C ATOM 508 O LEU A 46 -9.569 18.582 1.001 1.00 0.00 O ATOM 509 CB LEU A 46 -8.663 17.049 3.565 1.00 0.00 C ATOM 510 CG LEU A 46 -8.477 16.865 5.072 1.00 0.00 C ATOM 511 CD1 LEU A 46 -9.031 15.524 5.519 1.00 0.00 C ATOM 512 CD2 LEU A 46 -7.006 16.983 5.442 1.00 0.00 C ATOM 0 H LEU A 46 -10.294 15.715 2.242 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.560 17.948 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.504 16.089 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.891 17.725 3.199 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.029 17.652 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.889 15.412 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.095 15.474 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.507 14.722 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.890 16.850 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.436 16.216 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.637 17.968 5.156 1.00 0.00 H new ATOM 524 N HIS A 47 -10.036 19.992 2.691 1.00 0.00 N ATOM 525 CA HIS A 47 -9.903 21.206 1.872 1.00 0.00 C ATOM 526 C HIS A 47 -11.054 21.328 0.867 1.00 0.00 C ATOM 527 O HIS A 47 -11.806 22.302 0.897 1.00 0.00 O ATOM 528 CB HIS A 47 -8.553 21.220 1.137 1.00 0.00 C ATOM 529 CG HIS A 47 -7.690 22.393 1.482 1.00 0.00 C ATOM 530 ND1 HIS A 47 -6.879 23.028 0.565 1.00 0.00 N ATOM 531 CD2 HIS A 47 -7.511 23.047 2.654 1.00 0.00 C ATOM 532 CE1 HIS A 47 -6.240 24.021 1.158 1.00 0.00 C ATOM 533 NE2 HIS A 47 -6.606 24.053 2.426 1.00 0.00 N ATOM 0 H HIS A 47 -10.275 20.169 3.667 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.946 22.064 2.543 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.013 20.302 1.371 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.735 21.218 0.062 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -6.787 22.771 -0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -7.991 22.819 3.594 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.538 24.692 0.686 1.00 0.00 H new ATOM 542 N GLY A 48 -11.186 20.336 -0.017 1.00 0.00 N ATOM 543 CA GLY A 48 -12.248 20.356 -1.014 1.00 0.00 C ATOM 544 C GLY A 48 -11.763 20.790 -2.385 1.00 0.00 C ATOM 545 O GLY A 48 -12.194 20.244 -3.401 1.00 0.00 O ATOM 0 H GLY A 48 -10.576 19.520 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.689 19.362 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.037 21.031 -0.683 1.00 0.00 H new ATOM 549 N GLN A 49 -10.865 21.775 -2.414 1.00 0.00 N ATOM 550 CA GLN A 49 -10.315 22.287 -3.670 1.00 0.00 C ATOM 551 C GLN A 49 -9.505 21.219 -4.411 1.00 0.00 C ATOM 552 O GLN A 49 -8.970 20.290 -3.803 1.00 0.00 O ATOM 553 CB GLN A 49 -9.427 23.508 -3.402 1.00 0.00 C ATOM 554 CG GLN A 49 -10.162 24.679 -2.762 1.00 0.00 C ATOM 555 CD GLN A 49 -9.707 24.955 -1.341 1.00 0.00 C ATOM 556 OE1 GLN A 49 -10.515 24.995 -0.418 1.00 0.00 O ATOM 557 NE2 GLN A 49 -8.409 25.145 -1.155 1.00 0.00 N ATOM 0 H GLN A 49 -10.502 22.236 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.156 22.575 -4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.604 23.210 -2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.987 23.839 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.009 25.572 -3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.232 24.474 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.769 25.104 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.050 25.332 -0.219 1.00 0.00 H new ATOM 566 N VAL A 50 -9.404 21.371 -5.732 1.00 0.00 N ATOM 567 CA VAL A 50 -8.651 20.431 -6.563 1.00 0.00 C ATOM 568 C VAL A 50 -7.175 20.853 -6.683 1.00 0.00 C ATOM 569 O VAL A 50 -6.605 20.884 -7.776 1.00 0.00 O ATOM 570 CB VAL A 50 -9.290 20.295 -7.970 1.00 0.00 C ATOM 571 CG1 VAL A 50 -9.132 21.576 -8.780 1.00 0.00 C ATOM 572 CG2 VAL A 50 -8.697 19.111 -8.722 1.00 0.00 C ATOM 0 H VAL A 50 -9.835 22.137 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.689 19.458 -6.073 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.356 20.117 -7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.591 21.446 -9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.619 22.399 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.072 21.801 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.160 19.036 -9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.623 19.254 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.883 18.194 -8.162 1.00 0.00 H new ATOM 582 N GLU A 51 -6.561 21.177 -5.539 1.00 0.00 N ATOM 583 CA GLU A 51 -5.154 21.596 -5.501 1.00 0.00 C ATOM 584 C GLU A 51 -4.256 20.624 -6.274 1.00 0.00 C ATOM 585 O GLU A 51 -3.308 21.040 -6.945 1.00 0.00 O ATOM 586 CB GLU A 51 -4.679 21.716 -4.048 1.00 0.00 C ATOM 587 CG GLU A 51 -4.675 23.146 -3.520 1.00 0.00 C ATOM 588 CD GLU A 51 -5.972 23.534 -2.831 1.00 0.00 C ATOM 589 OE1 GLU A 51 -6.412 22.794 -1.927 1.00 0.00 O ATOM 590 OE2 GLU A 51 -6.544 24.583 -3.190 1.00 0.00 O ATOM 0 H GLU A 51 -7.016 21.157 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.082 22.570 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.322 21.106 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.672 21.306 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.849 23.265 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.492 23.831 -4.348 1.00 0.00 H new ATOM 597 N SER A 52 -4.562 19.330 -6.180 1.00 0.00 N ATOM 598 CA SER A 52 -3.791 18.302 -6.879 1.00 0.00 C ATOM 599 C SER A 52 -4.560 17.783 -8.095 1.00 0.00 C ATOM 600 O SER A 52 -5.449 16.942 -7.960 1.00 0.00 O ATOM 601 CB SER A 52 -3.465 17.144 -5.926 1.00 0.00 C ATOM 602 OG SER A 52 -3.231 15.935 -6.636 1.00 0.00 O ATOM 0 H SER A 52 -5.339 18.969 -5.626 1.00 0.00 H new ATOM 0 HA SER A 52 -2.859 18.748 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.585 17.395 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.290 17.003 -5.227 1.00 0.00 H new ATOM 0 HG SER A 52 -3.183 15.188 -6.003 1.00 0.00 H new ATOM 608 N ILE A 53 -4.212 18.288 -9.280 1.00 0.00 N ATOM 609 CA ILE A 53 -4.872 17.870 -10.523 1.00 0.00 C ATOM 610 C ILE A 53 -4.900 16.344 -10.648 1.00 0.00 C ATOM 611 O ILE A 53 -5.931 15.758 -10.977 1.00 0.00 O ATOM 612 CB ILE A 53 -4.172 18.473 -11.765 1.00 0.00 C ATOM 613 CG1 ILE A 53 -4.218 20.002 -11.717 1.00 0.00 C ATOM 614 CG2 ILE A 53 -4.820 17.965 -13.045 1.00 0.00 C ATOM 615 CD1 ILE A 53 -2.853 20.647 -11.615 1.00 0.00 C ATOM 0 H ILE A 53 -3.479 18.986 -9.407 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.895 18.243 -10.480 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.129 18.156 -11.757 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.718 20.370 -12.613 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.822 20.312 -10.864 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.314 18.400 -13.907 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.739 16.879 -13.087 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.872 18.252 -13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.964 21.731 -11.586 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.358 20.308 -10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.253 20.367 -12.481 1.00 0.00 H new ATOM 627 N ASP A 54 -3.762 15.713 -10.371 1.00 0.00 N ATOM 628 CA ASP A 54 -3.641 14.257 -10.437 1.00 0.00 C ATOM 629 C ASP A 54 -3.160 13.697 -9.093 1.00 0.00 C ATOM 630 O ASP A 54 -3.905 13.003 -8.397 1.00 0.00 O ATOM 631 CB ASP A 54 -2.683 13.849 -11.568 1.00 0.00 C ATOM 632 CG ASP A 54 -1.612 14.889 -11.835 1.00 0.00 C ATOM 633 OD1 ASP A 54 -0.783 15.131 -10.932 1.00 0.00 O ATOM 634 OD2 ASP A 54 -1.611 15.467 -12.939 1.00 0.00 O ATOM 0 H ASP A 54 -2.904 16.191 -10.097 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.624 13.837 -10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.208 12.902 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.256 13.681 -12.480 1.00 0.00 H new ATOM 639 N VAL A 55 -1.915 14.009 -8.730 1.00 0.00 N ATOM 640 CA VAL A 55 -1.337 13.549 -7.466 1.00 0.00 C ATOM 641 C VAL A 55 -0.471 14.641 -6.830 1.00 0.00 C ATOM 642 O VAL A 55 0.359 15.260 -7.501 1.00 0.00 O ATOM 643 CB VAL A 55 -0.491 12.269 -7.660 1.00 0.00 C ATOM 644 CG1 VAL A 55 -0.047 11.707 -6.317 1.00 0.00 C ATOM 645 CG2 VAL A 55 -1.269 11.220 -8.441 1.00 0.00 C ATOM 0 H VAL A 55 -1.286 14.580 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.169 13.318 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 55 0.397 12.536 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.547 10.807 -6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.554 12.450 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.924 11.461 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.654 10.329 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.178 10.961 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.533 11.618 -9.421 1.00 0.00 H new ATOM 655 N ILE A 56 -0.679 14.884 -5.536 1.00 0.00 N ATOM 656 CA ILE A 56 0.071 15.913 -4.808 1.00 0.00 C ATOM 657 C ILE A 56 1.581 15.632 -4.802 1.00 0.00 C ATOM 658 O ILE A 56 2.093 14.923 -3.931 1.00 0.00 O ATOM 659 CB ILE A 56 -0.449 16.073 -3.353 1.00 0.00 C ATOM 660 CG1 ILE A 56 0.363 17.131 -2.598 1.00 0.00 C ATOM 661 CG2 ILE A 56 -0.407 14.743 -2.609 1.00 0.00 C ATOM 662 CD1 ILE A 56 0.363 18.489 -3.263 1.00 0.00 C ATOM 0 H ILE A 56 -1.361 14.382 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.093 16.850 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.486 16.404 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.037 17.231 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.392 16.785 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.776 14.883 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.034 14.017 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.619 14.377 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.958 19.184 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.791 18.405 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.660 18.858 -3.336 1.00 0.00 H new ATOM 674 N ARG A 57 2.282 16.201 -5.788 1.00 0.00 N ATOM 675 CA ARG A 57 3.731 16.035 -5.925 1.00 0.00 C ATOM 676 C ARG A 57 4.108 14.570 -6.165 1.00 0.00 C ATOM 677 O ARG A 57 4.396 13.827 -5.223 1.00 0.00 O ATOM 678 CB ARG A 57 4.451 16.582 -4.684 1.00 0.00 C ATOM 679 CG ARG A 57 5.898 16.984 -4.940 1.00 0.00 C ATOM 680 CD ARG A 57 6.187 18.390 -4.431 1.00 0.00 C ATOM 681 NE ARG A 57 6.249 19.365 -5.526 1.00 0.00 N ATOM 682 CZ ARG A 57 6.176 20.682 -5.365 1.00 0.00 C ATOM 683 NH1 ARG A 57 6.055 21.208 -4.160 1.00 0.00 N ATOM 684 NH2 ARG A 57 6.225 21.475 -6.417 1.00 0.00 N ATOM 0 H ARG A 57 1.863 16.787 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 57 4.052 16.605 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.904 17.447 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.427 15.826 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.565 16.275 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.107 16.933 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.412 18.687 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.132 18.393 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 57 6.355 19.007 -6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.017 20.602 -3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.000 22.220 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.319 21.077 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.169 22.486 -6.296 1.00 0.00 H new ATOM 698 N SER A 58 4.108 14.164 -7.439 1.00 0.00 N ATOM 699 CA SER A 58 4.451 12.787 -7.821 1.00 0.00 C ATOM 700 C SER A 58 5.689 12.294 -7.068 1.00 0.00 C ATOM 701 O SER A 58 5.627 11.302 -6.339 1.00 0.00 O ATOM 702 CB SER A 58 4.677 12.695 -9.339 1.00 0.00 C ATOM 703 OG SER A 58 5.697 11.759 -9.658 1.00 0.00 O ATOM 0 H SER A 58 3.874 14.770 -8.226 1.00 0.00 H new ATOM 0 HA SER A 58 3.614 12.144 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.748 12.403 -9.829 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.948 13.677 -9.728 1.00 0.00 H new ATOM 0 HG SER A 58 5.815 11.723 -10.630 1.00 0.00 H new ATOM 709 N ILE A 59 6.809 12.999 -7.242 1.00 0.00 N ATOM 710 CA ILE A 59 8.064 12.643 -6.574 1.00 0.00 C ATOM 711 C ILE A 59 7.849 12.406 -5.078 1.00 0.00 C ATOM 712 O ILE A 59 8.330 11.414 -4.523 1.00 0.00 O ATOM 713 CB ILE A 59 9.139 13.737 -6.766 1.00 0.00 C ATOM 714 CG1 ILE A 59 9.404 13.974 -8.255 1.00 0.00 C ATOM 715 CG2 ILE A 59 10.429 13.352 -6.054 1.00 0.00 C ATOM 716 CD1 ILE A 59 9.184 15.407 -8.687 1.00 0.00 C ATOM 0 H ILE A 59 6.873 13.822 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 59 8.414 11.720 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 59 8.766 14.663 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.431 13.688 -8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.754 13.323 -8.840 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.173 14.135 -6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.234 13.232 -4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.804 12.414 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.390 15.501 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.150 15.692 -8.491 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.853 16.062 -8.129 1.00 0.00 H new ATOM 728 N PHE A 60 7.109 13.314 -4.435 1.00 0.00 N ATOM 729 CA PHE A 60 6.815 13.202 -3.005 1.00 0.00 C ATOM 730 C PHE A 60 6.215 11.837 -2.668 1.00 0.00 C ATOM 731 O PHE A 60 6.512 11.273 -1.614 1.00 0.00 O ATOM 732 CB PHE A 60 5.862 14.316 -2.563 1.00 0.00 C ATOM 733 CG PHE A 60 5.699 14.410 -1.072 1.00 0.00 C ATOM 734 CD1 PHE A 60 6.617 15.109 -0.306 1.00 0.00 C ATOM 735 CD2 PHE A 60 4.630 13.800 -0.439 1.00 0.00 C ATOM 736 CE1 PHE A 60 6.471 15.198 1.066 1.00 0.00 C ATOM 737 CE2 PHE A 60 4.479 13.882 0.931 1.00 0.00 C ATOM 738 CZ PHE A 60 5.400 14.582 1.686 1.00 0.00 C ATOM 0 H PHE A 60 6.703 14.135 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 60 7.756 13.305 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.231 15.270 -2.941 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.885 14.149 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.456 15.590 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.905 13.253 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.192 15.748 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.641 13.399 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.284 14.648 2.758 1.00 0.00 H new ATOM 748 N PHE A 61 5.389 11.299 -3.575 1.00 0.00 N ATOM 749 CA PHE A 61 4.775 9.988 -3.367 1.00 0.00 C ATOM 750 C PHE A 61 5.831 8.966 -2.944 1.00 0.00 C ATOM 751 O PHE A 61 5.572 8.111 -2.097 1.00 0.00 O ATOM 752 CB PHE A 61 4.058 9.518 -4.637 1.00 0.00 C ATOM 753 CG PHE A 61 2.793 8.750 -4.365 1.00 0.00 C ATOM 754 CD1 PHE A 61 1.675 9.388 -3.852 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.724 7.390 -4.624 1.00 0.00 C ATOM 756 CE1 PHE A 61 0.512 8.683 -3.601 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.565 6.682 -4.375 1.00 0.00 C ATOM 758 CZ PHE A 61 0.457 7.329 -3.862 1.00 0.00 C ATOM 0 H PHE A 61 5.134 11.751 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 61 4.037 10.078 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.821 10.386 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.736 8.891 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.712 10.447 -3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.586 6.878 -5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.353 9.192 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.524 5.623 -4.581 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.450 6.776 -3.666 1.00 0.00 H new ATOM 768 N GLY A 62 7.032 9.086 -3.523 1.00 0.00 N ATOM 769 CA GLY A 62 8.130 8.193 -3.183 1.00 0.00 C ATOM 770 C GLY A 62 8.327 8.062 -1.683 1.00 0.00 C ATOM 771 O GLY A 62 8.657 6.985 -1.194 1.00 0.00 O ATOM 0 H GLY A 62 7.261 9.791 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.939 7.208 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.049 8.563 -3.636 1.00 0.00 H new ATOM 775 N LEU A 63 8.099 9.149 -0.945 1.00 0.00 N ATOM 776 CA LEU A 63 8.230 9.123 0.513 1.00 0.00 C ATOM 777 C LEU A 63 7.308 8.057 1.105 1.00 0.00 C ATOM 778 O LEU A 63 7.699 7.299 2.000 1.00 0.00 O ATOM 779 CB LEU A 63 7.899 10.497 1.108 1.00 0.00 C ATOM 780 CG LEU A 63 9.000 11.116 1.969 1.00 0.00 C ATOM 781 CD1 LEU A 63 8.791 12.615 2.101 1.00 0.00 C ATOM 782 CD2 LEU A 63 9.036 10.461 3.340 1.00 0.00 C ATOM 0 H LEU A 63 7.824 10.053 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 63 9.262 8.877 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.669 11.183 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.996 10.406 1.712 1.00 0.00 H new ATOM 0 HG LEU A 63 9.959 10.943 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.583 13.040 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.814 13.074 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.825 12.808 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.826 10.914 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.076 10.604 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.232 9.395 3.229 1.00 0.00 H new ATOM 794 N LEU A 64 6.084 7.985 0.569 1.00 0.00 N ATOM 795 CA LEU A 64 5.103 7.001 1.015 1.00 0.00 C ATOM 796 C LEU A 64 5.651 5.580 0.888 1.00 0.00 C ATOM 797 O LEU A 64 5.202 4.679 1.594 1.00 0.00 O ATOM 798 CB LEU A 64 3.801 7.137 0.214 1.00 0.00 C ATOM 799 CG LEU A 64 2.573 7.548 1.030 1.00 0.00 C ATOM 800 CD1 LEU A 64 2.255 6.503 2.091 1.00 0.00 C ATOM 801 CD2 LEU A 64 2.792 8.908 1.673 1.00 0.00 C ATOM 0 H LEU A 64 5.753 8.599 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 64 4.892 7.194 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.955 7.872 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.592 6.184 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 64 1.722 7.617 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.379 6.816 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.053 5.546 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.105 6.398 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.909 9.184 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.657 8.863 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.967 9.653 0.897 1.00 0.00 H new ATOM 813 N ILE A 65 6.631 5.383 -0.004 1.00 0.00 N ATOM 814 CA ILE A 65 7.239 4.068 -0.199 1.00 0.00 C ATOM 815 C ILE A 65 7.715 3.473 1.129 1.00 0.00 C ATOM 816 O ILE A 65 7.682 2.260 1.306 1.00 0.00 O ATOM 817 CB ILE A 65 8.423 4.124 -1.194 1.00 0.00 C ATOM 818 CG1 ILE A 65 7.919 4.441 -2.603 1.00 0.00 C ATOM 819 CG2 ILE A 65 9.194 2.809 -1.195 1.00 0.00 C ATOM 820 CD1 ILE A 65 9.023 4.799 -3.574 1.00 0.00 C ATOM 0 H ILE A 65 7.016 6.117 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 65 6.465 3.426 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 65 9.098 4.917 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.374 3.579 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.211 5.268 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.021 2.873 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.585 2.615 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.528 1.997 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.592 5.011 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.554 5.680 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.719 3.964 -3.657 1.00 0.00 H new ATOM 832 N THR A 66 8.142 4.325 2.070 1.00 0.00 N ATOM 833 CA THR A 66 8.598 3.834 3.374 1.00 0.00 C ATOM 834 C THR A 66 7.452 3.119 4.106 1.00 0.00 C ATOM 835 O THR A 66 7.490 1.895 4.280 1.00 0.00 O ATOM 836 CB THR A 66 9.170 4.978 4.223 1.00 0.00 C ATOM 837 OG1 THR A 66 10.397 5.435 3.684 1.00 0.00 O ATOM 838 CG2 THR A 66 9.427 4.594 5.665 1.00 0.00 C ATOM 0 H THR A 66 8.181 5.338 1.956 1.00 0.00 H new ATOM 0 HA THR A 66 9.400 3.114 3.210 1.00 0.00 H new ATOM 0 HB THR A 66 8.407 5.756 4.202 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.746 6.165 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.830 5.452 6.204 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.492 4.280 6.130 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.143 3.773 5.701 1.00 0.00 H new ATOM 846 N PRO A 67 6.396 3.858 4.521 1.00 0.00 N ATOM 847 CA PRO A 67 5.242 3.256 5.201 1.00 0.00 C ATOM 848 C PRO A 67 4.545 2.220 4.319 1.00 0.00 C ATOM 849 O PRO A 67 4.106 1.178 4.801 1.00 0.00 O ATOM 850 CB PRO A 67 4.314 4.448 5.481 1.00 0.00 C ATOM 851 CG PRO A 67 4.749 5.507 4.527 1.00 0.00 C ATOM 852 CD PRO A 67 6.226 5.313 4.339 1.00 0.00 C ATOM 0 HA PRO A 67 5.531 2.720 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.269 4.180 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.405 4.785 6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.220 5.419 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.533 6.500 4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.553 5.637 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.804 5.881 5.068 1.00 0.00 H new ATOM 860 N TRP A 68 4.471 2.513 3.014 1.00 0.00 N ATOM 861 CA TRP A 68 3.853 1.606 2.046 1.00 0.00 C ATOM 862 C TRP A 68 4.613 0.284 1.990 1.00 0.00 C ATOM 863 O TRP A 68 4.004 -0.782 1.970 1.00 0.00 O ATOM 864 CB TRP A 68 3.807 2.250 0.656 1.00 0.00 C ATOM 865 CG TRP A 68 2.585 1.887 -0.129 1.00 0.00 C ATOM 866 CD1 TRP A 68 2.310 0.682 -0.708 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.472 2.739 -0.425 1.00 0.00 C ATOM 868 NE1 TRP A 68 1.091 0.732 -1.344 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.558 1.984 -1.182 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.159 4.066 -0.119 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.646 2.512 -1.638 1.00 0.00 C ATOM 872 CZ3 TRP A 68 -0.036 4.590 -0.572 1.00 0.00 C ATOM 873 CH2 TRP A 68 -0.927 3.814 -1.324 1.00 0.00 C ATOM 0 H TRP A 68 4.834 3.375 2.606 1.00 0.00 H new ATOM 0 HA TRP A 68 2.831 1.407 2.370 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.851 3.334 0.765 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.692 1.950 0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.955 -0.184 -0.672 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.655 -0.037 -1.853 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.839 4.671 0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.334 1.916 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.287 5.615 -0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.854 4.252 -1.663 1.00 0.00 H new ATOM 884 N ALA A 69 5.946 0.359 1.980 1.00 0.00 N ATOM 885 CA ALA A 69 6.779 -0.840 1.949 1.00 0.00 C ATOM 886 C ALA A 69 6.554 -1.663 3.212 1.00 0.00 C ATOM 887 O ALA A 69 6.297 -2.865 3.140 1.00 0.00 O ATOM 888 CB ALA A 69 8.250 -0.472 1.804 1.00 0.00 C ATOM 0 H ALA A 69 6.468 1.235 1.993 1.00 0.00 H new ATOM 0 HA ALA A 69 6.495 -1.439 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.852 -1.380 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.397 0.082 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.555 0.146 2.648 1.00 0.00 H new ATOM 894 N VAL A 70 6.626 -0.999 4.370 1.00 0.00 N ATOM 895 CA VAL A 70 6.400 -1.669 5.653 1.00 0.00 C ATOM 896 C VAL A 70 5.007 -2.302 5.681 1.00 0.00 C ATOM 897 O VAL A 70 4.862 -3.501 5.931 1.00 0.00 O ATOM 898 CB VAL A 70 6.543 -0.688 6.840 1.00 0.00 C ATOM 899 CG1 VAL A 70 6.240 -1.385 8.157 1.00 0.00 C ATOM 900 CG2 VAL A 70 7.937 -0.080 6.870 1.00 0.00 C ATOM 0 H VAL A 70 6.838 -0.004 4.445 1.00 0.00 H new ATOM 0 HA VAL A 70 7.159 -2.445 5.756 1.00 0.00 H new ATOM 0 HB VAL A 70 5.819 0.115 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.347 -0.675 8.977 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.220 -1.768 8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.936 -2.212 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.016 0.607 7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.677 -0.873 6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.118 0.462 5.942 1.00 0.00 H new ATOM 910 N TYR A 71 3.989 -1.485 5.399 1.00 0.00 N ATOM 911 CA TYR A 71 2.603 -1.952 5.367 1.00 0.00 C ATOM 912 C TYR A 71 2.455 -3.121 4.394 1.00 0.00 C ATOM 913 O TYR A 71 1.944 -4.180 4.755 1.00 0.00 O ATOM 914 CB TYR A 71 1.671 -0.808 4.949 1.00 0.00 C ATOM 915 CG TYR A 71 0.492 -0.606 5.871 1.00 0.00 C ATOM 916 CD1 TYR A 71 -0.587 -1.482 5.858 1.00 0.00 C ATOM 917 CD2 TYR A 71 0.455 0.467 6.753 1.00 0.00 C ATOM 918 CE1 TYR A 71 -1.668 -1.294 6.697 1.00 0.00 C ATOM 919 CE2 TYR A 71 -0.623 0.660 7.595 1.00 0.00 C ATOM 920 CZ TYR A 71 -1.681 -0.222 7.562 1.00 0.00 C ATOM 921 OH TYR A 71 -2.756 -0.028 8.395 1.00 0.00 O ATOM 0 H TYR A 71 4.101 -0.493 5.189 1.00 0.00 H new ATOM 0 HA TYR A 71 2.329 -2.290 6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.246 0.117 4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.302 -1.003 3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.580 -2.323 5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.282 1.161 6.781 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.499 -1.984 6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.636 1.498 8.276 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.606 0.772 8.941 1.00 0.00 H new ATOM 931 N PHE A 72 2.921 -2.914 3.162 1.00 0.00 N ATOM 932 CA PHE A 72 2.861 -3.936 2.119 1.00 0.00 C ATOM 933 C PHE A 72 3.523 -5.231 2.585 1.00 0.00 C ATOM 934 O PHE A 72 2.908 -6.292 2.539 1.00 0.00 O ATOM 935 CB PHE A 72 3.535 -3.424 0.838 1.00 0.00 C ATOM 936 CG PHE A 72 3.466 -4.386 -0.315 1.00 0.00 C ATOM 937 CD1 PHE A 72 2.255 -4.664 -0.931 1.00 0.00 C ATOM 938 CD2 PHE A 72 4.611 -5.008 -0.783 1.00 0.00 C ATOM 939 CE1 PHE A 72 2.189 -5.549 -1.992 1.00 0.00 C ATOM 940 CE2 PHE A 72 4.552 -5.892 -1.844 1.00 0.00 C ATOM 941 CZ PHE A 72 3.340 -6.162 -2.449 1.00 0.00 C ATOM 0 H PHE A 72 3.348 -2.038 2.861 1.00 0.00 H new ATOM 0 HA PHE A 72 1.813 -4.148 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.066 -2.485 0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.581 -3.204 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.354 -4.184 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.561 -4.800 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.240 -5.760 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.452 -6.371 -2.199 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.292 -6.852 -3.279 1.00 0.00 H new ATOM 951 N LEU A 73 4.774 -5.137 3.044 1.00 0.00 N ATOM 952 CA LEU A 73 5.504 -6.310 3.529 1.00 0.00 C ATOM 953 C LEU A 73 4.681 -7.053 4.582 1.00 0.00 C ATOM 954 O LEU A 73 4.490 -8.267 4.490 1.00 0.00 O ATOM 955 CB LEU A 73 6.863 -5.898 4.107 1.00 0.00 C ATOM 956 CG LEU A 73 8.073 -6.584 3.469 1.00 0.00 C ATOM 957 CD1 LEU A 73 9.308 -5.705 3.584 1.00 0.00 C ATOM 958 CD2 LEU A 73 8.324 -7.935 4.119 1.00 0.00 C ATOM 0 H LEU A 73 5.300 -4.264 3.090 1.00 0.00 H new ATOM 0 HA LEU A 73 5.677 -6.980 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.976 -4.820 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.866 -6.111 5.176 1.00 0.00 H new ATOM 0 HG LEU A 73 7.858 -6.742 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.158 -6.210 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.129 -4.758 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.523 -5.516 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.188 -8.408 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.516 -7.797 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.448 -8.570 3.988 1.00 0.00 H new ATOM 970 N SER A 74 4.179 -6.308 5.570 1.00 0.00 N ATOM 971 CA SER A 74 3.357 -6.889 6.634 1.00 0.00 C ATOM 972 C SER A 74 2.099 -7.541 6.055 1.00 0.00 C ATOM 973 O SER A 74 1.916 -8.754 6.163 1.00 0.00 O ATOM 974 CB SER A 74 2.971 -5.813 7.657 1.00 0.00 C ATOM 975 OG SER A 74 3.051 -6.313 8.981 1.00 0.00 O ATOM 0 H SER A 74 4.327 -5.302 5.655 1.00 0.00 H new ATOM 0 HA SER A 74 3.944 -7.659 7.135 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.631 -4.952 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.958 -5.465 7.458 1.00 0.00 H new ATOM 0 HG SER A 74 2.238 -6.819 9.189 1.00 0.00 H new ATOM 981 N VAL A 75 1.244 -6.725 5.428 1.00 0.00 N ATOM 982 CA VAL A 75 0.001 -7.211 4.815 1.00 0.00 C ATOM 983 C VAL A 75 0.254 -8.445 3.949 1.00 0.00 C ATOM 984 O VAL A 75 -0.391 -9.480 4.126 1.00 0.00 O ATOM 985 CB VAL A 75 -0.668 -6.113 3.955 1.00 0.00 C ATOM 986 CG1 VAL A 75 -1.870 -6.669 3.204 1.00 0.00 C ATOM 987 CG2 VAL A 75 -1.080 -4.929 4.815 1.00 0.00 C ATOM 0 H VAL A 75 1.391 -5.720 5.331 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.669 -7.481 5.631 1.00 0.00 H new ATOM 0 HB VAL A 75 0.063 -5.768 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.323 -5.878 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.547 -7.479 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.601 -7.049 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.548 -4.170 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.788 -5.260 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.199 -4.507 5.299 1.00 0.00 H new ATOM 997 N VAL A 76 1.206 -8.329 3.017 1.00 0.00 N ATOM 998 CA VAL A 76 1.562 -9.435 2.128 1.00 0.00 C ATOM 999 C VAL A 76 1.848 -10.697 2.936 1.00 0.00 C ATOM 1000 O VAL A 76 1.304 -11.766 2.643 1.00 0.00 O ATOM 1001 CB VAL A 76 2.792 -9.092 1.255 1.00 0.00 C ATOM 1002 CG1 VAL A 76 3.314 -10.327 0.532 1.00 0.00 C ATOM 1003 CG2 VAL A 76 2.454 -7.997 0.256 1.00 0.00 C ATOM 0 H VAL A 76 1.744 -7.477 2.860 1.00 0.00 H new ATOM 0 HA VAL A 76 0.711 -9.608 1.469 1.00 0.00 H new ATOM 0 HB VAL A 76 3.578 -8.728 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.179 -10.056 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.606 -11.081 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.532 -10.730 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.333 -7.771 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.645 -8.333 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.141 -7.100 0.791 1.00 0.00 H new ATOM 1013 N VAL A 77 2.687 -10.562 3.968 1.00 0.00 N ATOM 1014 CA VAL A 77 3.026 -11.687 4.837 1.00 0.00 C ATOM 1015 C VAL A 77 1.770 -12.237 5.521 1.00 0.00 C ATOM 1016 O VAL A 77 1.503 -13.438 5.472 1.00 0.00 O ATOM 1017 CB VAL A 77 4.068 -11.280 5.908 1.00 0.00 C ATOM 1018 CG1 VAL A 77 4.224 -12.366 6.962 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.409 -10.977 5.257 1.00 0.00 C ATOM 0 H VAL A 77 3.142 -9.685 4.220 1.00 0.00 H new ATOM 0 HA VAL A 77 3.463 -12.464 4.210 1.00 0.00 H new ATOM 0 HB VAL A 77 3.707 -10.378 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.962 -12.053 7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.266 -12.535 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.556 -13.289 6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.130 -10.693 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.767 -11.863 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.292 -10.158 4.547 1.00 0.00 H new ATOM 1029 N GLU A 78 0.995 -11.343 6.144 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.243 -11.731 6.826 1.00 0.00 C ATOM 1031 C GLU A 78 -1.243 -12.357 5.846 1.00 0.00 C ATOM 1032 O GLU A 78 -1.941 -13.317 6.184 1.00 0.00 O ATOM 1033 CB GLU A 78 -0.876 -10.515 7.511 1.00 0.00 C ATOM 1034 CG GLU A 78 -0.071 -9.982 8.694 1.00 0.00 C ATOM 1035 CD GLU A 78 0.206 -8.492 8.606 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -0.625 -7.761 8.026 1.00 0.00 O ATOM 1037 OE2 GLU A 78 1.257 -8.054 9.121 1.00 0.00 O ATOM 0 H GLU A 78 1.204 -10.346 6.190 1.00 0.00 H new ATOM 0 HA GLU A 78 0.010 -12.477 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.995 -9.718 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.875 -10.783 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.612 -10.190 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.876 -10.518 8.752 1.00 0.00 H new ATOM 1044 N GLN A 79 -1.313 -11.801 4.636 1.00 0.00 N ATOM 1045 CA GLN A 79 -2.228 -12.299 3.607 1.00 0.00 C ATOM 1046 C GLN A 79 -1.822 -13.689 3.089 1.00 0.00 C ATOM 1047 O GLN A 79 -2.644 -14.397 2.500 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.310 -11.305 2.442 1.00 0.00 C ATOM 1049 CG GLN A 79 -3.625 -11.392 1.676 1.00 0.00 C ATOM 1050 CD GLN A 79 -3.663 -10.485 0.465 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -3.297 -10.888 -0.635 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -4.111 -9.255 0.660 1.00 0.00 N ATOM 0 H GLN A 79 -0.747 -11.005 4.344 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.210 -12.398 4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.186 -10.293 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.483 -11.489 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.786 -12.422 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.446 -11.132 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.405 -8.961 1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.162 -8.601 -0.121 1.00 0.00 H new ATOM 1061 N LEU A 80 -0.555 -14.075 3.302 1.00 0.00 N ATOM 1062 CA LEU A 80 -0.050 -15.377 2.847 1.00 0.00 C ATOM 1063 C LEU A 80 -0.029 -15.444 1.317 1.00 0.00 C ATOM 1064 O LEU A 80 -1.048 -15.720 0.685 1.00 0.00 O ATOM 1065 CB LEU A 80 -0.904 -16.519 3.430 1.00 0.00 C ATOM 1066 CG LEU A 80 -0.792 -17.868 2.708 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -0.619 -18.999 3.707 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -2.018 -18.117 1.843 1.00 0.00 C ATOM 0 H LEU A 80 0.137 -13.504 3.786 1.00 0.00 H new ATOM 0 HA LEU A 80 0.972 -15.494 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.623 -16.662 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.949 -16.208 3.421 1.00 0.00 H new ATOM 0 HG LEU A 80 0.087 -17.835 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.542 -19.947 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.288 -18.835 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.479 -19.028 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.919 -19.079 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.910 -18.126 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.105 -17.325 1.099 1.00 0.00 H new ATOM 1080 N GLU A 81 1.133 -15.178 0.727 1.00 0.00 N ATOM 1081 CA GLU A 81 1.275 -15.196 -0.729 1.00 0.00 C ATOM 1082 C GLU A 81 2.242 -16.291 -1.191 1.00 0.00 C ATOM 1083 O GLU A 81 1.860 -17.186 -1.946 1.00 0.00 O ATOM 1084 CB GLU A 81 1.752 -13.829 -1.227 1.00 0.00 C ATOM 1085 CG GLU A 81 0.653 -12.777 -1.269 1.00 0.00 C ATOM 1086 CD GLU A 81 -0.040 -12.710 -2.613 1.00 0.00 C ATOM 1087 OE1 GLU A 81 0.497 -12.047 -3.520 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -1.125 -13.322 -2.757 1.00 0.00 O ATOM 0 H GLU A 81 1.989 -14.948 1.232 1.00 0.00 H new ATOM 0 HA GLU A 81 0.296 -15.416 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.556 -13.477 -0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.173 -13.942 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.083 -12.996 -0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.080 -11.802 -1.036 1.00 0.00 H new ATOM 1095 N GLU A 82 3.496 -16.209 -0.744 1.00 0.00 N ATOM 1096 CA GLU A 82 4.514 -17.190 -1.123 1.00 0.00 C ATOM 1097 C GLU A 82 4.418 -18.465 -0.274 1.00 0.00 C ATOM 1098 O GLU A 82 3.883 -19.476 -0.729 1.00 0.00 O ATOM 1099 CB GLU A 82 5.913 -16.567 -1.014 1.00 0.00 C ATOM 1100 CG GLU A 82 7.049 -17.541 -1.318 1.00 0.00 C ATOM 1101 CD GLU A 82 7.671 -18.151 -0.072 1.00 0.00 C ATOM 1102 OE1 GLU A 82 7.680 -17.483 0.985 1.00 0.00 O ATOM 1103 OE2 GLU A 82 8.149 -19.301 -0.155 1.00 0.00 O ATOM 0 H GLU A 82 3.831 -15.475 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 82 4.334 -17.478 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.978 -15.722 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.046 -16.171 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.671 -18.341 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.822 -17.021 -1.884 1.00 0.00 H new ATOM 1110 N SER A 83 4.947 -18.415 0.950 1.00 0.00 N ATOM 1111 CA SER A 83 4.924 -19.576 1.842 1.00 0.00 C ATOM 1112 C SER A 83 3.565 -19.745 2.525 1.00 0.00 C ATOM 1113 O SER A 83 2.649 -18.943 2.332 1.00 0.00 O ATOM 1114 CB SER A 83 6.029 -19.469 2.894 1.00 0.00 C ATOM 1115 OG SER A 83 6.107 -20.658 3.667 1.00 0.00 O ATOM 0 H SER A 83 5.394 -17.588 1.345 1.00 0.00 H new ATOM 0 HA SER A 83 5.100 -20.458 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.986 -19.284 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.835 -18.618 3.547 1.00 0.00 H new ATOM 0 HG SER A 83 5.650 -20.522 4.523 1.00 0.00 H new ATOM 1121 N ARG A 84 3.445 -20.801 3.328 1.00 0.00 N ATOM 1122 CA ARG A 84 2.199 -21.088 4.036 1.00 0.00 C ATOM 1123 C ARG A 84 2.241 -20.598 5.488 1.00 0.00 C ATOM 1124 O ARG A 84 2.139 -21.393 6.425 1.00 0.00 O ATOM 1125 CB ARG A 84 1.906 -22.591 3.993 1.00 0.00 C ATOM 1126 CG ARG A 84 0.453 -22.936 4.281 1.00 0.00 C ATOM 1127 CD ARG A 84 0.100 -24.325 3.776 1.00 0.00 C ATOM 1128 NE ARG A 84 0.002 -24.362 2.313 1.00 0.00 N ATOM 1129 CZ ARG A 84 -0.304 -25.444 1.609 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -0.550 -26.590 2.214 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -0.363 -25.376 0.295 1.00 0.00 N ATOM 0 H ARG A 84 4.194 -21.471 3.504 1.00 0.00 H new ATOM 0 HA ARG A 84 1.399 -20.547 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.174 -22.977 3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.542 -23.098 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.271 -22.881 5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.197 -22.200 3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.856 -25.036 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.848 -24.641 4.212 1.00 0.00 H new ATOM 0 HE ARG A 84 0.181 -23.497 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.506 -26.649 3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.785 -27.417 1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.174 -24.493 -0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.598 -26.206 -0.249 1.00 0.00 H new ATOM 1145 N GLN A 85 2.367 -19.282 5.672 1.00 0.00 N ATOM 1146 CA GLN A 85 2.393 -18.698 7.019 1.00 0.00 C ATOM 1147 C GLN A 85 1.031 -18.874 7.694 1.00 0.00 C ATOM 1148 O GLN A 85 0.950 -19.261 8.860 1.00 0.00 O ATOM 1149 CB GLN A 85 2.769 -17.215 6.957 1.00 0.00 C ATOM 1150 CG GLN A 85 3.253 -16.653 8.287 1.00 0.00 C ATOM 1151 CD GLN A 85 4.676 -17.066 8.616 1.00 0.00 C ATOM 1152 OE1 GLN A 85 4.911 -18.135 9.174 1.00 0.00 O ATOM 1153 NE2 GLN A 85 5.635 -16.218 8.278 1.00 0.00 N ATOM 0 H GLN A 85 2.452 -18.604 4.915 1.00 0.00 H new ATOM 0 HA GLN A 85 3.148 -19.218 7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.549 -17.078 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.903 -16.643 6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.192 -15.565 8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.588 -16.990 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.400 -15.340 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.609 -16.443 8.480 1.00 0.00 H new ATOM 1162 N ARG A 86 -0.032 -18.605 6.929 1.00 0.00 N ATOM 1163 CA ARG A 86 -1.411 -18.742 7.401 1.00 0.00 C ATOM 1164 C ARG A 86 -1.782 -17.693 8.454 1.00 0.00 C ATOM 1165 O ARG A 86 -1.734 -17.955 9.659 1.00 0.00 O ATOM 1166 CB ARG A 86 -1.651 -20.156 7.944 1.00 0.00 C ATOM 1167 CG ARG A 86 -2.216 -21.117 6.907 1.00 0.00 C ATOM 1168 CD ARG A 86 -3.736 -21.085 6.891 1.00 0.00 C ATOM 1169 NE ARG A 86 -4.253 -20.009 6.036 1.00 0.00 N ATOM 1170 CZ ARG A 86 -5.442 -19.436 6.188 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -6.268 -19.843 7.136 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -5.806 -18.461 5.379 1.00 0.00 N ATOM 0 H ARG A 86 0.041 -18.286 5.963 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.060 -18.570 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.710 -20.555 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.338 -20.101 8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.835 -20.855 5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.874 -22.129 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.115 -22.044 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.107 -20.951 7.907 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.660 -19.679 5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.995 -20.603 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.179 -19.397 7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.176 -18.149 4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.718 -18.018 5.492 1.00 0.00 H new ATOM 1186 N LEU A 87 -2.182 -16.511 7.985 1.00 0.00 N ATOM 1187 CA LEU A 87 -2.592 -15.430 8.875 1.00 0.00 C ATOM 1188 C LEU A 87 -4.007 -14.957 8.520 1.00 0.00 C ATOM 1189 O LEU A 87 -4.968 -15.317 9.201 1.00 0.00 O ATOM 1190 CB LEU A 87 -1.586 -14.275 8.817 1.00 0.00 C ATOM 1191 CG LEU A 87 -0.535 -14.284 9.930 1.00 0.00 C ATOM 1192 CD1 LEU A 87 0.822 -13.862 9.391 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -0.958 -13.373 11.070 1.00 0.00 C ATOM 0 H LEU A 87 -2.230 -16.280 6.993 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.609 -15.804 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.076 -14.304 7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.133 -13.333 8.860 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.452 -15.302 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.554 -13.875 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.133 -14.553 8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.753 -12.855 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.199 -13.392 11.852 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.071 -12.354 10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.908 -13.718 11.478 1.00 0.00 H new ATOM 1205 N SER A 88 -4.144 -14.172 7.449 1.00 0.00 N ATOM 1206 CA SER A 88 -5.463 -13.690 7.027 1.00 0.00 C ATOM 1207 C SER A 88 -5.899 -14.360 5.716 1.00 0.00 C ATOM 1208 O SER A 88 -6.663 -15.326 5.742 1.00 0.00 O ATOM 1209 CB SER A 88 -5.464 -12.161 6.890 1.00 0.00 C ATOM 1210 OG SER A 88 -4.758 -11.738 5.732 1.00 0.00 O ATOM 0 H SER A 88 -3.369 -13.859 6.864 1.00 0.00 H new ATOM 0 HA SER A 88 -6.185 -13.961 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.491 -11.800 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.011 -11.716 7.776 1.00 0.00 H new ATOM 0 HG SER A 88 -4.780 -10.760 5.675 1.00 0.00 H new ATOM 1216 N ARG A 89 -5.405 -13.835 4.588 1.00 0.00 N ATOM 1217 CA ARG A 89 -5.720 -14.349 3.244 1.00 0.00 C ATOM 1218 C ARG A 89 -6.940 -13.646 2.651 1.00 0.00 C ATOM 1219 O ARG A 89 -7.986 -13.587 3.331 1.00 0.00 O ATOM 1220 CB ARG A 89 -5.942 -15.870 3.256 1.00 0.00 C ATOM 1221 CG ARG A 89 -5.192 -16.622 2.162 1.00 0.00 C ATOM 1222 CD ARG A 89 -5.241 -15.892 0.825 1.00 0.00 C ATOM 1223 NE ARG A 89 -3.995 -15.165 0.566 1.00 0.00 N ATOM 1224 CZ ARG A 89 -3.593 -14.751 -0.629 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -4.335 -14.947 -1.700 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -2.440 -14.131 -0.739 1.00 0.00 N ATOM 0 H ARG A 89 -4.771 -13.036 4.579 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.857 -14.135 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.636 -16.262 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.008 -16.071 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.153 -16.757 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.622 -17.617 2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.419 -16.609 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.079 -15.195 0.820 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.392 -14.962 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.233 -15.423 -1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.011 -14.622 -2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.865 -13.973 0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.120 -13.808 -1.652 1.00 0.00 H new TER 1240 ARG A 89