USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 8 GLN : amide:sc= -2.09 K(o=-2.1,f=-1.2) USER MOD Set 1.2: A 72 MET CE :methyl 180:sc=-0.00392 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -168:sc= -0.469 (180deg=-0.661) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 47:sc= 0.0133 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 76:sc= 0.462 USER MOD Single : A 36 MET CE :methyl 169:sc= -0.0936 (180deg=-0.125) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.34) USER MOD Single : A 42 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.043) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 51 MET CE :methyl -163:sc= -1.02 (180deg=-1.06) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.00116 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -73:sc= 0.606 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.692 -0.102 3.715 1.00 8.11 N ATOM 2 CA ALA A 1 -15.748 0.577 2.432 1.00 7.11 C ATOM 3 C ALA A 1 -17.158 1.132 2.215 1.00 5.86 C ATOM 4 O ALA A 1 -17.970 1.151 3.139 1.00 5.82 O ATOM 5 CB ALA A 1 -15.325 -0.389 1.324 1.00 7.96 C ATOM 0 H1 ALA A 1 -14.701 -0.301 3.959 1.00 8.11 H new ATOM 0 H2 ALA A 1 -16.114 0.504 4.447 1.00 8.11 H new ATOM 0 H3 ALA A 1 -16.221 -0.996 3.658 1.00 8.11 H new ATOM 0 HA ALA A 1 -15.055 1.418 2.412 1.00 7.11 H new ATOM 0 HB1 ALA A 1 -15.367 0.121 0.361 1.00 7.96 H new ATOM 0 HB2 ALA A 1 -14.307 -0.732 1.509 1.00 7.96 H new ATOM 0 HB3 ALA A 1 -15.999 -1.245 1.311 1.00 7.96 H new ATOM 11 N ASP A 2 -17.405 1.569 0.989 1.00 5.53 N ATOM 12 CA ASP A 2 -18.702 2.122 0.639 1.00 5.11 C ATOM 13 C ASP A 2 -18.797 3.558 1.160 1.00 3.49 C ATOM 14 O ASP A 2 -19.144 4.471 0.414 1.00 4.48 O ATOM 15 CB ASP A 2 -19.835 1.313 1.273 1.00 5.90 C ATOM 16 CG ASP A 2 -21.000 0.988 0.336 1.00 7.03 C ATOM 17 OD1 ASP A 2 -21.052 1.615 -0.744 1.00 7.31 O ATOM 18 OD2 ASP A 2 -21.812 0.118 0.721 1.00 8.00 O ATOM 0 H ASP A 2 -16.729 1.551 0.226 1.00 5.53 H new ATOM 0 HA ASP A 2 -18.800 2.091 -0.446 1.00 5.11 H new ATOM 0 HB2 ASP A 2 -19.424 0.379 1.655 1.00 5.90 H new ATOM 0 HB3 ASP A 2 -20.221 1.866 2.130 1.00 5.90 H new ATOM 23 N GLN A 3 -18.482 3.711 2.438 1.00 2.04 N ATOM 24 CA GLN A 3 -18.527 5.020 3.068 1.00 1.99 C ATOM 25 C GLN A 3 -17.226 5.289 3.827 1.00 1.90 C ATOM 26 O GLN A 3 -16.713 6.407 3.811 1.00 3.53 O ATOM 27 CB GLN A 3 -19.738 5.141 3.995 1.00 2.99 C ATOM 28 CG GLN A 3 -19.749 4.016 5.032 1.00 3.69 C ATOM 29 CD GLN A 3 -20.767 4.300 6.138 1.00 5.41 C ATOM 30 OE1 GLN A 3 -21.685 5.089 5.984 1.00 6.35 O ATOM 31 NE2 GLN A 3 -20.555 3.615 7.258 1.00 6.46 N ATOM 0 H GLN A 3 -18.195 2.951 3.054 1.00 2.04 H new ATOM 0 HA GLN A 3 -18.632 5.774 2.288 1.00 1.99 H new ATOM 0 HB2 GLN A 3 -19.718 6.106 4.501 1.00 2.99 H new ATOM 0 HB3 GLN A 3 -20.655 5.108 3.407 1.00 2.99 H new ATOM 0 HG2 GLN A 3 -19.989 3.071 4.546 1.00 3.69 H new ATOM 0 HG3 GLN A 3 -18.755 3.907 5.467 1.00 3.69 H new ATOM 0 HE21 GLN A 3 -19.767 2.970 7.320 1.00 6.46 H new ATOM 0 HE22 GLN A 3 -21.180 3.734 8.055 1.00 6.46 H new ATOM 40 N LEU A 4 -16.729 4.244 4.474 1.00 0.78 N ATOM 41 CA LEU A 4 -15.498 4.354 5.238 1.00 0.60 C ATOM 42 C LEU A 4 -14.387 4.889 4.333 1.00 0.56 C ATOM 43 O LEU A 4 -13.487 5.589 4.796 1.00 0.70 O ATOM 44 CB LEU A 4 -15.160 3.018 5.903 1.00 0.92 C ATOM 45 CG LEU A 4 -13.671 2.690 6.029 1.00 1.13 C ATOM 46 CD1 LEU A 4 -12.994 3.597 7.059 1.00 2.89 C ATOM 47 CD2 LEU A 4 -13.461 1.207 6.345 1.00 2.10 C ATOM 0 H LEU A 4 -17.157 3.318 4.485 1.00 0.78 H new ATOM 0 HA LEU A 4 -15.617 5.068 6.052 1.00 0.60 H new ATOM 0 HB2 LEU A 4 -15.599 3.010 6.901 1.00 0.92 H new ATOM 0 HB3 LEU A 4 -15.641 2.221 5.336 1.00 0.92 H new ATOM 0 HG LEU A 4 -13.196 2.885 5.067 1.00 1.13 H new ATOM 0 HD11 LEU A 4 -11.936 3.342 7.129 1.00 2.89 H new ATOM 0 HD12 LEU A 4 -13.097 4.638 6.751 1.00 2.89 H new ATOM 0 HD13 LEU A 4 -13.465 3.458 8.032 1.00 2.89 H new ATOM 0 HD21 LEU A 4 -12.394 1.000 6.429 1.00 2.10 H new ATOM 0 HD22 LEU A 4 -13.953 0.962 7.286 1.00 2.10 H new ATOM 0 HD23 LEU A 4 -13.886 0.601 5.545 1.00 2.10 H new ATOM 59 N THR A 5 -14.486 4.540 3.059 1.00 0.64 N ATOM 60 CA THR A 5 -13.501 4.976 2.084 1.00 0.70 C ATOM 61 C THR A 5 -13.260 6.482 2.207 1.00 0.60 C ATOM 62 O THR A 5 -12.152 6.959 1.966 1.00 0.60 O ATOM 63 CB THR A 5 -13.986 4.549 0.697 1.00 0.89 C ATOM 64 OG1 THR A 5 -12.819 4.026 0.067 1.00 1.77 O ATOM 65 CG2 THR A 5 -14.379 5.741 -0.178 1.00 1.40 C ATOM 0 H THR A 5 -15.234 3.960 2.679 1.00 0.64 H new ATOM 0 HA THR A 5 -12.533 4.508 2.263 1.00 0.70 H new ATOM 0 HB THR A 5 -14.839 3.878 0.801 1.00 0.89 H new ATOM 0 HG1 THR A 5 -13.043 3.724 -0.838 1.00 1.77 H new ATOM 0 HG21 THR A 5 -14.716 5.383 -1.151 1.00 1.40 H new ATOM 0 HG22 THR A 5 -15.185 6.296 0.303 1.00 1.40 H new ATOM 0 HG23 THR A 5 -13.517 6.395 -0.311 1.00 1.40 H new ATOM 73 N GLU A 6 -14.316 7.189 2.582 1.00 0.59 N ATOM 74 CA GLU A 6 -14.233 8.631 2.740 1.00 0.57 C ATOM 75 C GLU A 6 -13.306 8.986 3.903 1.00 0.50 C ATOM 76 O GLU A 6 -12.484 9.894 3.792 1.00 0.52 O ATOM 77 CB GLU A 6 -15.622 9.241 2.940 1.00 0.70 C ATOM 78 CG GLU A 6 -15.720 10.613 2.270 1.00 1.44 C ATOM 79 CD GLU A 6 -17.026 11.316 2.648 1.00 1.53 C ATOM 80 OE1 GLU A 6 -17.128 11.731 3.822 1.00 2.32 O ATOM 81 OE2 GLU A 6 -17.892 11.422 1.753 1.00 2.49 O ATOM 0 H GLU A 6 -15.233 6.790 2.781 1.00 0.59 H new ATOM 0 HA GLU A 6 -13.814 9.053 1.826 1.00 0.57 H new ATOM 0 HB2 GLU A 6 -16.379 8.575 2.525 1.00 0.70 H new ATOM 0 HB3 GLU A 6 -15.831 9.337 4.005 1.00 0.70 H new ATOM 0 HG2 GLU A 6 -14.872 11.229 2.569 1.00 1.44 H new ATOM 0 HG3 GLU A 6 -15.665 10.498 1.188 1.00 1.44 H new ATOM 88 N GLU A 7 -13.468 8.250 4.993 1.00 0.58 N ATOM 89 CA GLU A 7 -12.656 8.475 6.176 1.00 0.63 C ATOM 90 C GLU A 7 -11.208 8.055 5.914 1.00 0.52 C ATOM 91 O GLU A 7 -10.275 8.769 6.278 1.00 0.52 O ATOM 92 CB GLU A 7 -13.231 7.735 7.386 1.00 0.83 C ATOM 93 CG GLU A 7 -14.760 7.707 7.335 1.00 1.48 C ATOM 94 CD GLU A 7 -15.360 8.059 8.698 1.00 2.61 C ATOM 95 OE1 GLU A 7 -15.478 7.129 9.524 1.00 2.52 O ATOM 96 OE2 GLU A 7 -15.687 9.251 8.882 1.00 3.99 O ATOM 0 H GLU A 7 -14.150 7.497 5.081 1.00 0.58 H new ATOM 0 HA GLU A 7 -12.669 9.541 6.404 1.00 0.63 H new ATOM 0 HB2 GLU A 7 -12.846 6.716 7.410 1.00 0.83 H new ATOM 0 HB3 GLU A 7 -12.903 8.222 8.304 1.00 0.83 H new ATOM 0 HG2 GLU A 7 -15.115 8.412 6.584 1.00 1.48 H new ATOM 0 HG3 GLU A 7 -15.099 6.717 7.029 1.00 1.48 H new ATOM 103 N GLN A 8 -11.066 6.897 5.285 1.00 0.56 N ATOM 104 CA GLN A 8 -9.748 6.373 4.969 1.00 0.58 C ATOM 105 C GLN A 8 -9.059 7.260 3.930 1.00 0.49 C ATOM 106 O GLN A 8 -7.968 7.773 4.172 1.00 0.56 O ATOM 107 CB GLN A 8 -9.836 4.925 4.484 1.00 0.77 C ATOM 108 CG GLN A 8 -9.990 3.960 5.661 1.00 1.83 C ATOM 109 CD GLN A 8 -8.714 3.916 6.504 1.00 2.41 C ATOM 110 OE1 GLN A 8 -8.613 4.523 7.557 1.00 3.45 O ATOM 111 NE2 GLN A 8 -7.748 3.164 5.984 1.00 2.78 N ATOM 0 H GLN A 8 -11.842 6.307 4.986 1.00 0.56 H new ATOM 0 HA GLN A 8 -9.147 6.380 5.879 1.00 0.58 H new ATOM 0 HB2 GLN A 8 -10.683 4.816 3.807 1.00 0.77 H new ATOM 0 HB3 GLN A 8 -8.940 4.673 3.917 1.00 0.77 H new ATOM 0 HG2 GLN A 8 -10.830 4.270 6.282 1.00 1.83 H new ATOM 0 HG3 GLN A 8 -10.219 2.961 5.290 1.00 1.83 H new ATOM 0 HE21 GLN A 8 -7.898 2.682 5.098 1.00 2.78 H new ATOM 0 HE22 GLN A 8 -6.857 3.069 6.472 1.00 2.78 H new ATOM 120 N ILE A 9 -9.725 7.412 2.795 1.00 0.50 N ATOM 121 CA ILE A 9 -9.191 8.228 1.717 1.00 0.47 C ATOM 122 C ILE A 9 -8.575 9.500 2.303 1.00 0.44 C ATOM 123 O ILE A 9 -7.476 9.896 1.919 1.00 0.60 O ATOM 124 CB ILE A 9 -10.267 8.495 0.663 1.00 0.60 C ATOM 125 CG1 ILE A 9 -10.568 7.231 -0.146 1.00 1.73 C ATOM 126 CG2 ILE A 9 -9.875 9.670 -0.235 1.00 1.74 C ATOM 127 CD1 ILE A 9 -9.507 7.004 -1.224 1.00 2.98 C ATOM 0 H ILE A 9 -10.630 6.984 2.598 1.00 0.50 H new ATOM 0 HA ILE A 9 -8.393 7.697 1.197 1.00 0.47 H new ATOM 0 HB ILE A 9 -11.187 8.775 1.177 1.00 0.60 H new ATOM 0 HG12 ILE A 9 -10.605 6.369 0.520 1.00 1.73 H new ATOM 0 HG13 ILE A 9 -11.550 7.317 -0.610 1.00 1.73 H new ATOM 0 HG21 ILE A 9 -10.657 9.839 -0.975 1.00 1.74 H new ATOM 0 HG22 ILE A 9 -9.751 10.567 0.372 1.00 1.74 H new ATOM 0 HG23 ILE A 9 -8.938 9.443 -0.743 1.00 1.74 H new ATOM 0 HD11 ILE A 9 -9.745 6.100 -1.784 1.00 2.98 H new ATOM 0 HD12 ILE A 9 -9.489 7.857 -1.903 1.00 2.98 H new ATOM 0 HD13 ILE A 9 -8.529 6.894 -0.755 1.00 2.98 H new ATOM 139 N ALA A 10 -9.311 10.105 3.225 1.00 0.36 N ATOM 140 CA ALA A 10 -8.851 11.324 3.868 1.00 0.40 C ATOM 141 C ALA A 10 -7.424 11.119 4.379 1.00 0.40 C ATOM 142 O ALA A 10 -6.529 11.902 4.064 1.00 0.45 O ATOM 143 CB ALA A 10 -9.822 11.709 4.986 1.00 0.44 C ATOM 0 H ALA A 10 -10.222 9.773 3.542 1.00 0.36 H new ATOM 0 HA ALA A 10 -8.830 12.149 3.156 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -9.477 12.623 5.469 1.00 0.44 H new ATOM 0 HB2 ALA A 10 -10.814 11.872 4.566 1.00 0.44 H new ATOM 0 HB3 ALA A 10 -9.867 10.906 5.721 1.00 0.44 H new ATOM 149 N GLU A 11 -7.255 10.061 5.159 1.00 0.42 N ATOM 150 CA GLU A 11 -5.952 9.743 5.717 1.00 0.50 C ATOM 151 C GLU A 11 -5.008 9.256 4.616 1.00 0.43 C ATOM 152 O GLU A 11 -3.862 9.697 4.536 1.00 0.46 O ATOM 153 CB GLU A 11 -6.072 8.705 6.835 1.00 0.64 C ATOM 154 CG GLU A 11 -6.808 9.285 8.044 1.00 1.19 C ATOM 155 CD GLU A 11 -7.267 8.175 8.991 1.00 1.55 C ATOM 156 OE1 GLU A 11 -6.461 7.813 9.876 1.00 2.01 O ATOM 157 OE2 GLU A 11 -8.414 7.712 8.809 1.00 2.53 O ATOM 0 H GLU A 11 -7.999 9.413 5.418 1.00 0.42 H new ATOM 0 HA GLU A 11 -5.534 10.651 6.152 1.00 0.50 H new ATOM 0 HB2 GLU A 11 -6.605 7.828 6.467 1.00 0.64 H new ATOM 0 HB3 GLU A 11 -5.079 8.372 7.135 1.00 0.64 H new ATOM 0 HG2 GLU A 11 -6.153 9.974 8.577 1.00 1.19 H new ATOM 0 HG3 GLU A 11 -7.670 9.860 7.707 1.00 1.19 H new ATOM 164 N PHE A 12 -5.524 8.353 3.795 1.00 0.39 N ATOM 165 CA PHE A 12 -4.741 7.801 2.702 1.00 0.39 C ATOM 166 C PHE A 12 -4.205 8.912 1.796 1.00 0.37 C ATOM 167 O PHE A 12 -3.213 8.721 1.095 1.00 0.56 O ATOM 168 CB PHE A 12 -5.677 6.904 1.890 1.00 0.47 C ATOM 169 CG PHE A 12 -5.370 5.411 2.014 1.00 0.76 C ATOM 170 CD1 PHE A 12 -5.562 4.773 3.200 1.00 0.88 C ATOM 171 CD2 PHE A 12 -4.906 4.720 0.938 1.00 1.42 C ATOM 172 CE1 PHE A 12 -5.278 3.387 3.315 1.00 1.19 C ATOM 173 CE2 PHE A 12 -4.621 3.334 1.054 1.00 1.90 C ATOM 174 CZ PHE A 12 -4.813 2.696 2.240 1.00 1.66 C ATOM 0 H PHE A 12 -6.475 7.990 3.865 1.00 0.39 H new ATOM 0 HA PHE A 12 -3.889 7.248 3.097 1.00 0.39 H new ATOM 0 HB2 PHE A 12 -6.703 7.081 2.212 1.00 0.47 H new ATOM 0 HB3 PHE A 12 -5.618 7.191 0.840 1.00 0.47 H new ATOM 0 HD1 PHE A 12 -5.931 5.321 4.054 1.00 0.88 H new ATOM 0 HD2 PHE A 12 -4.754 5.226 -0.004 1.00 1.42 H new ATOM 0 HE1 PHE A 12 -5.431 2.881 4.257 1.00 1.19 H new ATOM 0 HE2 PHE A 12 -4.251 2.786 0.200 1.00 1.90 H new ATOM 0 HZ PHE A 12 -4.596 1.642 2.328 1.00 1.66 H new ATOM 184 N LYS A 13 -4.885 10.048 1.841 1.00 0.35 N ATOM 185 CA LYS A 13 -4.489 11.189 1.033 1.00 0.38 C ATOM 186 C LYS A 13 -3.156 11.735 1.548 1.00 0.43 C ATOM 187 O LYS A 13 -2.170 11.771 0.813 1.00 0.46 O ATOM 188 CB LYS A 13 -5.608 12.233 0.996 1.00 0.45 C ATOM 189 CG LYS A 13 -5.662 12.930 -0.365 1.00 0.73 C ATOM 190 CD LYS A 13 -6.336 12.039 -1.411 1.00 1.67 C ATOM 191 CE LYS A 13 -7.353 12.833 -2.234 1.00 1.51 C ATOM 192 NZ LYS A 13 -7.768 12.063 -3.427 1.00 3.28 N ATOM 0 H LYS A 13 -5.707 10.203 2.424 1.00 0.35 H new ATOM 0 HA LYS A 13 -4.332 10.887 -0.002 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -6.565 11.753 1.201 1.00 0.45 H new ATOM 0 HB3 LYS A 13 -5.447 12.972 1.781 1.00 0.45 H new ATOM 0 HG2 LYS A 13 -6.208 13.869 -0.275 1.00 0.73 H new ATOM 0 HG3 LYS A 13 -4.652 13.179 -0.690 1.00 0.73 H new ATOM 0 HD2 LYS A 13 -5.581 11.613 -2.072 1.00 1.67 H new ATOM 0 HD3 LYS A 13 -6.834 11.205 -0.917 1.00 1.67 H new ATOM 0 HE2 LYS A 13 -8.225 13.064 -1.622 1.00 1.51 H new ATOM 0 HE3 LYS A 13 -6.918 13.784 -2.541 1.00 1.51 H new ATOM 0 HZ1 LYS A 13 -8.458 12.616 -3.974 1.00 3.28 H new ATOM 0 HZ2 LYS A 13 -6.936 11.864 -4.019 1.00 3.28 H new ATOM 0 HZ3 LYS A 13 -8.202 11.166 -3.128 1.00 3.28 H new ATOM 206 N GLU A 14 -3.168 12.148 2.807 1.00 0.49 N ATOM 207 CA GLU A 14 -1.972 12.690 3.428 1.00 0.61 C ATOM 208 C GLU A 14 -0.938 11.583 3.647 1.00 0.63 C ATOM 209 O GLU A 14 0.264 11.827 3.565 1.00 0.75 O ATOM 210 CB GLU A 14 -2.309 13.393 4.745 1.00 0.75 C ATOM 211 CG GLU A 14 -2.755 14.835 4.498 1.00 1.76 C ATOM 212 CD GLU A 14 -2.649 15.669 5.777 1.00 2.22 C ATOM 213 OE1 GLU A 14 -1.692 15.418 6.540 1.00 2.91 O ATOM 214 OE2 GLU A 14 -3.528 16.538 5.962 1.00 3.24 O ATOM 0 H GLU A 14 -3.987 12.118 3.414 1.00 0.49 H new ATOM 0 HA GLU A 14 -1.543 13.433 2.756 1.00 0.61 H new ATOM 0 HB2 GLU A 14 -3.099 12.847 5.261 1.00 0.75 H new ATOM 0 HB3 GLU A 14 -1.437 13.385 5.399 1.00 0.75 H new ATOM 0 HG2 GLU A 14 -2.139 15.281 3.717 1.00 1.76 H new ATOM 0 HG3 GLU A 14 -3.784 14.845 4.138 1.00 1.76 H new ATOM 221 N ALA A 15 -1.445 10.390 3.920 1.00 0.59 N ATOM 222 CA ALA A 15 -0.581 9.245 4.151 1.00 0.68 C ATOM 223 C ALA A 15 0.178 8.917 2.863 1.00 0.62 C ATOM 224 O ALA A 15 1.360 8.577 2.905 1.00 0.59 O ATOM 225 CB ALA A 15 -1.418 8.066 4.650 1.00 0.75 C ATOM 0 H ALA A 15 -2.443 10.191 3.986 1.00 0.59 H new ATOM 0 HA ALA A 15 0.157 9.470 4.921 1.00 0.68 H new ATOM 0 HB1 ALA A 15 -0.770 7.207 4.823 1.00 0.75 H new ATOM 0 HB2 ALA A 15 -1.914 8.340 5.581 1.00 0.75 H new ATOM 0 HB3 ALA A 15 -2.168 7.810 3.902 1.00 0.75 H new ATOM 231 N PHE A 16 -0.531 9.031 1.750 1.00 0.66 N ATOM 232 CA PHE A 16 0.061 8.751 0.453 1.00 0.66 C ATOM 233 C PHE A 16 1.503 9.257 0.388 1.00 0.57 C ATOM 234 O PHE A 16 2.390 8.554 -0.095 1.00 0.62 O ATOM 235 CB PHE A 16 -0.775 9.495 -0.590 1.00 0.74 C ATOM 236 CG PHE A 16 -0.293 9.299 -2.029 1.00 0.87 C ATOM 237 CD1 PHE A 16 -0.208 8.047 -2.554 1.00 0.65 C ATOM 238 CD2 PHE A 16 0.052 10.377 -2.783 1.00 1.46 C ATOM 239 CE1 PHE A 16 0.240 7.866 -3.889 1.00 0.88 C ATOM 240 CE2 PHE A 16 0.500 10.196 -4.118 1.00 1.72 C ATOM 241 CZ PHE A 16 0.585 8.944 -4.643 1.00 1.38 C ATOM 0 H PHE A 16 -1.511 9.314 1.719 1.00 0.66 H new ATOM 0 HA PHE A 16 0.073 7.676 0.274 1.00 0.66 H new ATOM 0 HB2 PHE A 16 -1.810 9.162 -0.516 1.00 0.74 H new ATOM 0 HB3 PHE A 16 -0.765 10.560 -0.356 1.00 0.74 H new ATOM 0 HD1 PHE A 16 -0.481 7.191 -1.955 1.00 0.65 H new ATOM 0 HD2 PHE A 16 -0.015 11.371 -2.366 1.00 1.46 H new ATOM 0 HE1 PHE A 16 0.307 6.872 -4.306 1.00 0.88 H new ATOM 0 HE2 PHE A 16 0.773 11.052 -4.717 1.00 1.72 H new ATOM 0 HZ PHE A 16 0.926 8.806 -5.658 1.00 1.38 H new ATOM 251 N SER A 17 1.694 10.471 0.882 1.00 0.54 N ATOM 252 CA SER A 17 3.013 11.079 0.886 1.00 0.49 C ATOM 253 C SER A 17 4.030 10.118 1.506 1.00 0.45 C ATOM 254 O SER A 17 4.996 9.725 0.854 1.00 0.42 O ATOM 255 CB SER A 17 3.006 12.407 1.646 1.00 0.54 C ATOM 256 OG SER A 17 4.296 13.012 1.676 1.00 1.46 O ATOM 0 H SER A 17 0.956 11.050 1.283 1.00 0.54 H new ATOM 0 HA SER A 17 3.298 11.284 -0.146 1.00 0.49 H new ATOM 0 HB2 SER A 17 2.297 13.089 1.177 1.00 0.54 H new ATOM 0 HB3 SER A 17 2.661 12.239 2.666 1.00 0.54 H new ATOM 0 HG SER A 17 4.249 13.858 2.168 1.00 1.46 H new ATOM 262 N LEU A 18 3.778 9.768 2.759 1.00 0.61 N ATOM 263 CA LEU A 18 4.659 8.861 3.474 1.00 0.64 C ATOM 264 C LEU A 18 4.872 7.598 2.637 1.00 0.65 C ATOM 265 O LEU A 18 6.008 7.200 2.385 1.00 0.79 O ATOM 266 CB LEU A 18 4.118 8.584 4.878 1.00 0.61 C ATOM 267 CG LEU A 18 4.096 9.777 5.835 1.00 0.72 C ATOM 268 CD1 LEU A 18 3.173 9.508 7.026 1.00 0.81 C ATOM 269 CD2 LEU A 18 5.512 10.150 6.281 1.00 0.89 C ATOM 0 H LEU A 18 2.976 10.096 3.297 1.00 0.61 H new ATOM 0 HA LEU A 18 5.638 9.317 3.619 1.00 0.64 H new ATOM 0 HB2 LEU A 18 3.102 8.199 4.785 1.00 0.61 H new ATOM 0 HB3 LEU A 18 4.719 7.793 5.328 1.00 0.61 H new ATOM 0 HG LEU A 18 3.690 10.636 5.300 1.00 0.72 H new ATOM 0 HD11 LEU A 18 3.176 10.372 7.691 1.00 0.81 H new ATOM 0 HD12 LEU A 18 2.159 9.329 6.668 1.00 0.81 H new ATOM 0 HD13 LEU A 18 3.526 8.631 7.569 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.467 11.001 6.961 1.00 0.89 H new ATOM 0 HD22 LEU A 18 5.968 9.302 6.791 1.00 0.89 H new ATOM 0 HD23 LEU A 18 6.111 10.413 5.409 1.00 0.89 H new ATOM 281 N PHE A 19 3.761 7.002 2.229 1.00 0.59 N ATOM 282 CA PHE A 19 3.811 5.793 1.426 1.00 0.66 C ATOM 283 C PHE A 19 4.618 6.018 0.146 1.00 0.75 C ATOM 284 O PHE A 19 5.231 5.088 -0.378 1.00 0.75 O ATOM 285 CB PHE A 19 2.370 5.444 1.051 1.00 0.64 C ATOM 286 CG PHE A 19 1.552 4.855 2.203 1.00 1.04 C ATOM 287 CD1 PHE A 19 1.957 3.705 2.806 1.00 2.49 C ATOM 288 CD2 PHE A 19 0.421 5.481 2.624 1.00 2.24 C ATOM 289 CE1 PHE A 19 1.199 3.158 3.874 1.00 2.98 C ATOM 290 CE2 PHE A 19 -0.338 4.934 3.693 1.00 2.61 C ATOM 291 CZ PHE A 19 0.067 3.784 4.295 1.00 2.33 C ATOM 0 H PHE A 19 2.820 7.335 2.440 1.00 0.59 H new ATOM 0 HA PHE A 19 4.290 4.992 1.990 1.00 0.66 H new ATOM 0 HB2 PHE A 19 1.872 6.343 0.688 1.00 0.64 H new ATOM 0 HB3 PHE A 19 2.382 4.731 0.226 1.00 0.64 H new ATOM 0 HD1 PHE A 19 2.856 3.208 2.472 1.00 2.49 H new ATOM 0 HD2 PHE A 19 0.099 6.394 2.146 1.00 2.24 H new ATOM 0 HE1 PHE A 19 1.521 2.245 4.352 1.00 2.98 H new ATOM 0 HE2 PHE A 19 -1.236 5.431 4.027 1.00 2.61 H new ATOM 0 HZ PHE A 19 -0.510 3.368 5.107 1.00 2.33 H new ATOM 301 N ASP A 20 4.593 7.258 -0.321 1.00 0.93 N ATOM 302 CA ASP A 20 5.314 7.617 -1.530 1.00 1.06 C ATOM 303 C ASP A 20 6.808 7.723 -1.215 1.00 0.86 C ATOM 304 O ASP A 20 7.290 8.787 -0.831 1.00 1.42 O ATOM 305 CB ASP A 20 4.847 8.970 -2.069 1.00 1.69 C ATOM 306 CG ASP A 20 4.651 9.030 -3.585 1.00 1.74 C ATOM 307 OD1 ASP A 20 5.129 8.091 -4.257 1.00 1.42 O ATOM 308 OD2 ASP A 20 4.026 10.014 -4.038 1.00 2.31 O ATOM 0 H ASP A 20 4.085 8.026 0.116 1.00 0.93 H new ATOM 0 HA ASP A 20 5.124 6.847 -2.277 1.00 1.06 H new ATOM 0 HB2 ASP A 20 3.906 9.231 -1.586 1.00 1.69 H new ATOM 0 HB3 ASP A 20 5.574 9.729 -1.782 1.00 1.69 H new ATOM 313 N LYS A 21 7.498 6.606 -1.389 1.00 0.57 N ATOM 314 CA LYS A 21 8.927 6.560 -1.128 1.00 0.94 C ATOM 315 C LYS A 21 9.686 6.892 -2.414 1.00 1.16 C ATOM 316 O LYS A 21 10.869 6.577 -2.539 1.00 2.72 O ATOM 317 CB LYS A 21 9.316 5.214 -0.514 1.00 1.18 C ATOM 318 CG LYS A 21 8.327 4.803 0.579 1.00 0.98 C ATOM 319 CD LYS A 21 8.700 5.433 1.922 1.00 0.89 C ATOM 320 CE LYS A 21 7.778 4.934 3.037 1.00 1.31 C ATOM 321 NZ LYS A 21 8.165 5.529 4.335 1.00 1.81 N ATOM 0 H LYS A 21 7.094 5.725 -1.708 1.00 0.57 H new ATOM 0 HA LYS A 21 9.205 7.313 -0.390 1.00 0.94 H new ATOM 0 HB2 LYS A 21 9.343 4.450 -1.291 1.00 1.18 H new ATOM 0 HB3 LYS A 21 10.320 5.278 -0.095 1.00 1.18 H new ATOM 0 HG2 LYS A 21 7.320 5.110 0.297 1.00 0.98 H new ATOM 0 HG3 LYS A 21 8.315 3.717 0.674 1.00 0.98 H new ATOM 0 HD2 LYS A 21 9.735 5.192 2.166 1.00 0.89 H new ATOM 0 HD3 LYS A 21 8.634 6.519 1.849 1.00 0.89 H new ATOM 0 HE2 LYS A 21 6.745 5.193 2.805 1.00 1.31 H new ATOM 0 HE3 LYS A 21 7.828 3.847 3.099 1.00 1.31 H new ATOM 0 HZ1 LYS A 21 7.529 5.180 5.080 1.00 1.81 H new ATOM 0 HZ2 LYS A 21 9.144 5.261 4.562 1.00 1.81 H new ATOM 0 HZ3 LYS A 21 8.094 6.565 4.277 1.00 1.81 H new ATOM 335 N ASP A 22 8.976 7.523 -3.337 1.00 0.69 N ATOM 336 CA ASP A 22 9.568 7.900 -4.609 1.00 0.57 C ATOM 337 C ASP A 22 8.943 9.211 -5.089 1.00 0.55 C ATOM 338 O ASP A 22 9.654 10.155 -5.430 1.00 0.69 O ATOM 339 CB ASP A 22 9.310 6.835 -5.676 1.00 0.57 C ATOM 340 CG ASP A 22 9.949 5.473 -5.398 1.00 1.54 C ATOM 341 OD1 ASP A 22 11.194 5.401 -5.490 1.00 2.34 O ATOM 342 OD2 ASP A 22 9.179 4.534 -5.099 1.00 2.28 O ATOM 0 H ASP A 22 7.996 7.783 -3.229 1.00 0.69 H new ATOM 0 HA ASP A 22 10.642 8.008 -4.461 1.00 0.57 H new ATOM 0 HB2 ASP A 22 8.233 6.700 -5.780 1.00 0.57 H new ATOM 0 HB3 ASP A 22 9.679 7.204 -6.633 1.00 0.57 H new ATOM 347 N GLY A 23 7.618 9.228 -5.101 1.00 0.52 N ATOM 348 CA GLY A 23 6.888 10.407 -5.534 1.00 0.60 C ATOM 349 C GLY A 23 6.648 10.380 -7.045 1.00 0.57 C ATOM 350 O GLY A 23 6.778 11.403 -7.716 1.00 0.70 O ATOM 0 H GLY A 23 7.031 8.443 -4.818 1.00 0.52 H new ATOM 0 HA2 GLY A 23 5.933 10.460 -5.011 1.00 0.60 H new ATOM 0 HA3 GLY A 23 7.447 11.304 -5.267 1.00 0.60 H new ATOM 354 N ASP A 24 6.303 9.199 -7.536 1.00 0.48 N ATOM 355 CA ASP A 24 6.044 9.026 -8.955 1.00 0.55 C ATOM 356 C ASP A 24 4.554 8.751 -9.167 1.00 0.63 C ATOM 357 O ASP A 24 4.028 8.970 -10.257 1.00 1.05 O ATOM 358 CB ASP A 24 6.829 7.838 -9.517 1.00 0.55 C ATOM 359 CG ASP A 24 7.221 6.777 -8.487 1.00 0.89 C ATOM 360 OD1 ASP A 24 6.472 6.644 -7.495 1.00 0.80 O ATOM 361 OD2 ASP A 24 8.261 6.122 -8.715 1.00 1.68 O ATOM 0 H ASP A 24 6.197 8.353 -6.977 1.00 0.48 H new ATOM 0 HA ASP A 24 6.352 9.937 -9.468 1.00 0.55 H new ATOM 0 HB2 ASP A 24 6.232 7.364 -10.296 1.00 0.55 H new ATOM 0 HB3 ASP A 24 7.735 8.213 -9.993 1.00 0.55 H new ATOM 366 N GLY A 25 3.916 8.275 -8.108 1.00 0.42 N ATOM 367 CA GLY A 25 2.497 7.967 -8.165 1.00 0.47 C ATOM 368 C GLY A 25 2.261 6.456 -8.133 1.00 0.50 C ATOM 369 O GLY A 25 1.195 5.982 -8.521 1.00 0.85 O ATOM 0 H GLY A 25 4.356 8.095 -7.205 1.00 0.42 H new ATOM 0 HA2 GLY A 25 1.986 8.436 -7.324 1.00 0.47 H new ATOM 0 HA3 GLY A 25 2.067 8.386 -9.074 1.00 0.47 H new ATOM 373 N THR A 26 3.275 5.741 -7.666 1.00 0.34 N ATOM 374 CA THR A 26 3.191 4.293 -7.579 1.00 0.36 C ATOM 375 C THR A 26 3.942 3.790 -6.344 1.00 0.34 C ATOM 376 O THR A 26 5.090 4.168 -6.114 1.00 0.42 O ATOM 377 CB THR A 26 3.719 3.709 -8.891 1.00 0.43 C ATOM 378 OG1 THR A 26 4.932 4.418 -9.124 1.00 1.01 O ATOM 379 CG2 THR A 26 2.839 4.072 -10.089 1.00 1.11 C ATOM 0 H THR A 26 4.158 6.137 -7.344 1.00 0.34 H new ATOM 0 HA THR A 26 2.160 3.963 -7.452 1.00 0.36 H new ATOM 0 HB THR A 26 3.786 2.624 -8.805 1.00 0.43 H new ATOM 0 HG1 THR A 26 5.462 4.440 -8.300 1.00 1.01 H new ATOM 0 HG21 THR A 26 3.258 3.633 -10.994 1.00 1.11 H new ATOM 0 HG22 THR A 26 1.832 3.686 -9.931 1.00 1.11 H new ATOM 0 HG23 THR A 26 2.799 5.156 -10.196 1.00 1.11 H new ATOM 387 N ILE A 27 3.263 2.945 -5.582 1.00 0.33 N ATOM 388 CA ILE A 27 3.852 2.386 -4.377 1.00 0.33 C ATOM 389 C ILE A 27 4.619 1.111 -4.733 1.00 0.31 C ATOM 390 O ILE A 27 4.089 0.008 -4.608 1.00 0.41 O ATOM 391 CB ILE A 27 2.781 2.180 -3.304 1.00 0.40 C ATOM 392 CG1 ILE A 27 2.246 3.521 -2.798 1.00 0.68 C ATOM 393 CG2 ILE A 27 3.308 1.306 -2.164 1.00 0.36 C ATOM 394 CD1 ILE A 27 3.392 4.457 -2.409 1.00 1.80 C ATOM 0 H ILE A 27 2.311 2.634 -5.776 1.00 0.33 H new ATOM 0 HA ILE A 27 4.572 3.082 -3.947 1.00 0.33 H new ATOM 0 HB ILE A 27 1.943 1.649 -3.756 1.00 0.40 H new ATOM 0 HG12 ILE A 27 1.636 3.989 -3.571 1.00 0.68 H new ATOM 0 HG13 ILE A 27 1.598 3.357 -1.937 1.00 0.68 H new ATOM 0 HG21 ILE A 27 2.527 1.175 -1.415 1.00 0.36 H new ATOM 0 HG22 ILE A 27 3.600 0.332 -2.557 1.00 0.36 H new ATOM 0 HG23 ILE A 27 4.173 1.787 -1.707 1.00 0.36 H new ATOM 0 HD11 ILE A 27 2.984 5.403 -2.053 1.00 1.80 H new ATOM 0 HD12 ILE A 27 3.985 3.997 -1.619 1.00 1.80 H new ATOM 0 HD13 ILE A 27 4.024 4.639 -3.278 1.00 1.80 H new ATOM 406 N THR A 28 5.855 1.305 -5.170 1.00 0.34 N ATOM 407 CA THR A 28 6.700 0.184 -5.545 1.00 0.39 C ATOM 408 C THR A 28 6.653 -0.903 -4.470 1.00 0.40 C ATOM 409 O THR A 28 6.472 -0.606 -3.290 1.00 0.43 O ATOM 410 CB THR A 28 8.109 0.721 -5.806 1.00 0.44 C ATOM 411 OG1 THR A 28 8.073 1.143 -7.166 1.00 0.49 O ATOM 412 CG2 THR A 28 9.169 -0.382 -5.785 1.00 0.64 C ATOM 0 H THR A 28 6.291 2.221 -5.273 1.00 0.34 H new ATOM 0 HA THR A 28 6.343 -0.292 -6.459 1.00 0.39 H new ATOM 0 HB THR A 28 8.355 1.474 -5.058 1.00 0.44 H new ATOM 0 HG1 THR A 28 8.947 1.507 -7.419 1.00 0.49 H new ATOM 0 HG21 THR A 28 10.150 0.053 -5.976 1.00 0.64 H new ATOM 0 HG22 THR A 28 9.170 -0.867 -4.809 1.00 0.64 H new ATOM 0 HG23 THR A 28 8.943 -1.119 -6.556 1.00 0.64 H new ATOM 420 N THR A 29 6.821 -2.139 -4.915 1.00 0.49 N ATOM 421 CA THR A 29 6.800 -3.272 -4.006 1.00 0.56 C ATOM 422 C THR A 29 7.751 -3.030 -2.832 1.00 0.54 C ATOM 423 O THR A 29 7.339 -3.084 -1.674 1.00 0.56 O ATOM 424 CB THR A 29 7.134 -4.530 -4.809 1.00 0.70 C ATOM 425 OG1 THR A 29 8.386 -4.229 -5.421 1.00 0.86 O ATOM 426 CG2 THR A 29 6.184 -4.740 -5.990 1.00 0.69 C ATOM 0 H THR A 29 6.972 -2.381 -5.894 1.00 0.49 H new ATOM 0 HA THR A 29 5.813 -3.405 -3.563 1.00 0.56 H new ATOM 0 HB THR A 29 7.096 -5.400 -4.153 1.00 0.70 H new ATOM 0 HG1 THR A 29 8.678 -4.993 -5.961 1.00 0.86 H new ATOM 0 HG21 THR A 29 6.465 -5.646 -6.526 1.00 0.69 H new ATOM 0 HG22 THR A 29 5.163 -4.838 -5.622 1.00 0.69 H new ATOM 0 HG23 THR A 29 6.247 -3.885 -6.664 1.00 0.69 H new ATOM 434 N LYS A 30 9.005 -2.770 -3.171 1.00 0.63 N ATOM 435 CA LYS A 30 10.018 -2.520 -2.160 1.00 0.75 C ATOM 436 C LYS A 30 9.675 -1.233 -1.408 1.00 0.76 C ATOM 437 O LYS A 30 10.065 -1.061 -0.254 1.00 0.86 O ATOM 438 CB LYS A 30 11.412 -2.512 -2.789 1.00 1.04 C ATOM 439 CG LYS A 30 11.696 -1.176 -3.478 1.00 1.04 C ATOM 440 CD LYS A 30 12.472 -1.384 -4.779 1.00 1.29 C ATOM 441 CE LYS A 30 13.947 -1.015 -4.602 1.00 2.01 C ATOM 442 NZ LYS A 30 14.371 -0.059 -5.650 1.00 2.30 N ATOM 0 H LYS A 30 9.343 -2.727 -4.132 1.00 0.63 H new ATOM 0 HA LYS A 30 10.030 -3.325 -1.425 1.00 0.75 H new ATOM 0 HB2 LYS A 30 12.163 -2.695 -2.020 1.00 1.04 H new ATOM 0 HB3 LYS A 30 11.493 -3.323 -3.513 1.00 1.04 H new ATOM 0 HG2 LYS A 30 10.757 -0.665 -3.689 1.00 1.04 H new ATOM 0 HG3 LYS A 30 12.267 -0.532 -2.809 1.00 1.04 H new ATOM 0 HD2 LYS A 30 12.389 -2.424 -5.094 1.00 1.29 H new ATOM 0 HD3 LYS A 30 12.033 -0.775 -5.570 1.00 1.29 H new ATOM 0 HE2 LYS A 30 14.103 -0.576 -3.616 1.00 2.01 H new ATOM 0 HE3 LYS A 30 14.561 -1.914 -4.651 1.00 2.01 H new ATOM 0 HZ1 LYS A 30 15.374 0.181 -5.516 1.00 2.30 H new ATOM 0 HZ2 LYS A 30 14.241 -0.491 -6.587 1.00 2.30 H new ATOM 0 HZ3 LYS A 30 13.796 0.805 -5.584 1.00 2.30 H new ATOM 456 N GLU A 31 8.948 -0.361 -2.092 1.00 0.76 N ATOM 457 CA GLU A 31 8.548 0.905 -1.503 1.00 0.84 C ATOM 458 C GLU A 31 7.502 0.676 -0.411 1.00 0.71 C ATOM 459 O GLU A 31 7.467 1.401 0.582 1.00 0.82 O ATOM 460 CB GLU A 31 8.024 1.866 -2.573 1.00 0.97 C ATOM 461 CG GLU A 31 7.070 2.896 -1.964 1.00 1.77 C ATOM 462 CD GLU A 31 6.591 3.892 -3.022 1.00 1.70 C ATOM 463 OE1 GLU A 31 6.884 3.641 -4.211 1.00 1.54 O ATOM 464 OE2 GLU A 31 5.943 4.882 -2.618 1.00 2.78 O ATOM 0 H GLU A 31 8.626 -0.507 -3.049 1.00 0.76 H new ATOM 0 HA GLU A 31 9.425 1.365 -1.047 1.00 0.84 H new ATOM 0 HB2 GLU A 31 8.861 2.377 -3.049 1.00 0.97 H new ATOM 0 HB3 GLU A 31 7.509 1.303 -3.352 1.00 0.97 H new ATOM 0 HG2 GLU A 31 6.213 2.387 -1.524 1.00 1.77 H new ATOM 0 HG3 GLU A 31 7.572 3.430 -1.157 1.00 1.77 H new ATOM 471 N LEU A 32 6.674 -0.335 -0.632 1.00 0.55 N ATOM 472 CA LEU A 32 5.629 -0.669 0.321 1.00 0.55 C ATOM 473 C LEU A 32 6.268 -1.201 1.605 1.00 0.49 C ATOM 474 O LEU A 32 5.798 -0.909 2.704 1.00 0.50 O ATOM 475 CB LEU A 32 4.618 -1.630 -0.307 1.00 0.60 C ATOM 476 CG LEU A 32 3.722 -2.393 0.670 1.00 0.57 C ATOM 477 CD1 LEU A 32 2.409 -1.645 0.909 1.00 2.28 C ATOM 478 CD2 LEU A 32 3.486 -3.827 0.191 1.00 2.07 C ATOM 0 H LEU A 32 6.706 -0.934 -1.457 1.00 0.55 H new ATOM 0 HA LEU A 32 5.061 0.221 0.592 1.00 0.55 H new ATOM 0 HB2 LEU A 32 3.981 -1.063 -0.986 1.00 0.60 H new ATOM 0 HB3 LEU A 32 5.163 -2.355 -0.911 1.00 0.60 H new ATOM 0 HG LEU A 32 4.236 -2.454 1.629 1.00 0.57 H new ATOM 0 HD11 LEU A 32 1.791 -2.209 1.607 1.00 2.28 H new ATOM 0 HD12 LEU A 32 2.622 -0.661 1.326 1.00 2.28 H new ATOM 0 HD13 LEU A 32 1.878 -1.531 -0.036 1.00 2.28 H new ATOM 0 HD21 LEU A 32 2.846 -4.348 0.903 1.00 2.07 H new ATOM 0 HD22 LEU A 32 3.003 -3.809 -0.786 1.00 2.07 H new ATOM 0 HD23 LEU A 32 4.441 -4.347 0.114 1.00 2.07 H new ATOM 490 N GLY A 33 7.330 -1.973 1.425 1.00 0.51 N ATOM 491 CA GLY A 33 8.037 -2.549 2.555 1.00 0.51 C ATOM 492 C GLY A 33 8.708 -1.460 3.395 1.00 0.46 C ATOM 493 O GLY A 33 8.937 -1.645 4.589 1.00 0.53 O ATOM 0 H GLY A 33 7.718 -2.213 0.513 1.00 0.51 H new ATOM 0 HA2 GLY A 33 7.341 -3.114 3.175 1.00 0.51 H new ATOM 0 HA3 GLY A 33 8.789 -3.253 2.198 1.00 0.51 H new ATOM 497 N THR A 34 9.004 -0.349 2.737 1.00 0.42 N ATOM 498 CA THR A 34 9.644 0.770 3.408 1.00 0.41 C ATOM 499 C THR A 34 8.752 1.297 4.534 1.00 0.39 C ATOM 500 O THR A 34 9.182 1.381 5.684 1.00 0.51 O ATOM 501 CB THR A 34 9.978 1.826 2.353 1.00 0.44 C ATOM 502 OG1 THR A 34 10.901 1.172 1.486 1.00 0.56 O ATOM 503 CG2 THR A 34 10.774 2.999 2.929 1.00 0.43 C ATOM 0 H THR A 34 8.813 -0.200 1.746 1.00 0.42 H new ATOM 0 HA THR A 34 10.574 0.464 3.888 1.00 0.41 H new ATOM 0 HB THR A 34 9.055 2.198 1.908 1.00 0.44 H new ATOM 0 HG1 THR A 34 10.418 0.550 0.903 1.00 0.56 H new ATOM 0 HG21 THR A 34 10.984 3.719 2.138 1.00 0.43 H new ATOM 0 HG22 THR A 34 10.193 3.482 3.715 1.00 0.43 H new ATOM 0 HG23 THR A 34 11.712 2.632 3.345 1.00 0.43 H new ATOM 511 N VAL A 35 7.527 1.639 4.165 1.00 0.34 N ATOM 512 CA VAL A 35 6.571 2.156 5.130 1.00 0.37 C ATOM 513 C VAL A 35 6.510 1.215 6.335 1.00 0.41 C ATOM 514 O VAL A 35 6.676 1.648 7.474 1.00 0.49 O ATOM 515 CB VAL A 35 5.210 2.359 4.461 1.00 0.43 C ATOM 516 CG1 VAL A 35 4.072 2.180 5.467 1.00 1.14 C ATOM 517 CG2 VAL A 35 5.132 3.729 3.783 1.00 1.13 C ATOM 0 H VAL A 35 7.174 1.568 3.211 1.00 0.34 H new ATOM 0 HA VAL A 35 6.888 3.133 5.496 1.00 0.37 H new ATOM 0 HB VAL A 35 5.098 1.596 3.690 1.00 0.43 H new ATOM 0 HG11 VAL A 35 3.116 2.330 4.965 1.00 1.14 H new ATOM 0 HG12 VAL A 35 4.110 1.173 5.884 1.00 1.14 H new ATOM 0 HG13 VAL A 35 4.178 2.909 6.270 1.00 1.14 H new ATOM 0 HG21 VAL A 35 4.155 3.848 3.315 1.00 1.13 H new ATOM 0 HG22 VAL A 35 5.276 4.512 4.527 1.00 1.13 H new ATOM 0 HG23 VAL A 35 5.910 3.804 3.023 1.00 1.13 H new ATOM 527 N MET A 36 6.271 -0.055 6.042 1.00 0.42 N ATOM 528 CA MET A 36 6.186 -1.061 7.087 1.00 0.51 C ATOM 529 C MET A 36 7.246 -0.823 8.164 1.00 0.56 C ATOM 530 O MET A 36 6.961 -0.935 9.356 1.00 0.68 O ATOM 531 CB MET A 36 6.381 -2.450 6.476 1.00 0.61 C ATOM 532 CG MET A 36 5.258 -2.778 5.490 1.00 0.64 C ATOM 533 SD MET A 36 3.776 -3.223 6.378 1.00 0.69 S ATOM 534 CE MET A 36 2.775 -1.782 6.052 1.00 1.96 C ATOM 0 H MET A 36 6.134 -0.410 5.096 1.00 0.42 H new ATOM 0 HA MET A 36 5.202 -0.994 7.551 1.00 0.51 H new ATOM 0 HB2 MET A 36 7.343 -2.495 5.965 1.00 0.61 H new ATOM 0 HB3 MET A 36 6.405 -3.199 7.267 1.00 0.61 H new ATOM 0 HG2 MET A 36 5.063 -1.918 4.849 1.00 0.64 H new ATOM 0 HG3 MET A 36 5.562 -3.598 4.840 1.00 0.64 H new ATOM 0 HE1 MET A 36 1.749 -1.973 6.366 1.00 1.96 H new ATOM 0 HE2 MET A 36 3.172 -0.931 6.605 1.00 1.96 H new ATOM 0 HE3 MET A 36 2.792 -1.561 4.985 1.00 1.96 H new ATOM 544 N ARG A 37 8.447 -0.500 7.707 1.00 0.68 N ATOM 545 CA ARG A 37 9.551 -0.246 8.616 1.00 0.83 C ATOM 546 C ARG A 37 9.127 0.748 9.700 1.00 0.65 C ATOM 547 O ARG A 37 9.329 0.500 10.888 1.00 0.78 O ATOM 548 CB ARG A 37 10.763 0.312 7.869 1.00 1.29 C ATOM 549 CG ARG A 37 11.219 -0.649 6.769 1.00 1.34 C ATOM 550 CD ARG A 37 12.728 -0.540 6.536 1.00 2.01 C ATOM 551 NE ARG A 37 12.996 -0.153 5.133 1.00 2.42 N ATOM 552 CZ ARG A 37 14.141 0.401 4.712 1.00 3.13 C ATOM 553 NH1 ARG A 37 15.131 0.637 5.584 1.00 3.85 N ATOM 554 NH2 ARG A 37 14.296 0.720 3.420 1.00 3.72 N ATOM 0 H ARG A 37 8.680 -0.408 6.718 1.00 0.68 H new ATOM 0 HA ARG A 37 9.827 -1.195 9.075 1.00 0.83 H new ATOM 0 HB2 ARG A 37 10.512 1.278 7.432 1.00 1.29 H new ATOM 0 HB3 ARG A 37 11.580 0.482 8.570 1.00 1.29 H new ATOM 0 HG2 ARG A 37 10.963 -1.672 7.046 1.00 1.34 H new ATOM 0 HG3 ARG A 37 10.688 -0.427 5.844 1.00 1.34 H new ATOM 0 HD2 ARG A 37 13.157 0.198 7.214 1.00 2.01 H new ATOM 0 HD3 ARG A 37 13.208 -1.493 6.757 1.00 2.01 H new ATOM 0 HE ARG A 37 12.263 -0.318 4.443 1.00 2.42 H new ATOM 0 HH11 ARG A 37 15.013 0.395 6.568 1.00 3.85 H new ATOM 0 HH12 ARG A 37 16.003 1.059 5.264 1.00 3.85 H new ATOM 0 HH21 ARG A 37 13.542 0.541 2.757 1.00 3.72 H new ATOM 0 HH22 ARG A 37 15.168 1.142 3.100 1.00 3.72 H new ATOM 568 N SER A 38 8.548 1.852 9.252 1.00 0.75 N ATOM 569 CA SER A 38 8.094 2.884 10.169 1.00 1.09 C ATOM 570 C SER A 38 7.168 2.276 11.224 1.00 1.14 C ATOM 571 O SER A 38 6.999 2.838 12.305 1.00 1.54 O ATOM 572 CB SER A 38 7.379 4.010 9.420 1.00 1.36 C ATOM 573 OG SER A 38 7.737 5.296 9.921 1.00 1.90 O ATOM 0 H SER A 38 8.383 2.055 8.266 1.00 0.75 H new ATOM 0 HA SER A 38 8.967 3.310 10.664 1.00 1.09 H new ATOM 0 HB2 SER A 38 7.624 3.953 8.359 1.00 1.36 H new ATOM 0 HB3 SER A 38 6.301 3.875 9.506 1.00 1.36 H new ATOM 0 HG SER A 38 7.261 5.988 9.416 1.00 1.90 H new ATOM 579 N LEU A 39 6.591 1.136 10.873 1.00 0.96 N ATOM 580 CA LEU A 39 5.686 0.446 11.776 1.00 1.35 C ATOM 581 C LEU A 39 6.477 -0.562 12.612 1.00 1.60 C ATOM 582 O LEU A 39 5.930 -1.571 13.055 1.00 2.93 O ATOM 583 CB LEU A 39 4.525 -0.177 10.999 1.00 1.31 C ATOM 584 CG LEU A 39 3.541 0.806 10.360 1.00 1.20 C ATOM 585 CD1 LEU A 39 2.415 0.064 9.638 1.00 1.25 C ATOM 586 CD2 LEU A 39 3.004 1.795 11.397 1.00 1.44 C ATOM 0 H LEU A 39 6.733 0.673 9.975 1.00 0.96 H new ATOM 0 HA LEU A 39 5.231 1.151 12.472 1.00 1.35 H new ATOM 0 HB2 LEU A 39 4.938 -0.810 10.213 1.00 1.31 H new ATOM 0 HB3 LEU A 39 3.970 -0.829 11.674 1.00 1.31 H new ATOM 0 HG LEU A 39 4.077 1.386 9.609 1.00 1.20 H new ATOM 0 HD11 LEU A 39 1.730 0.786 9.193 1.00 1.25 H new ATOM 0 HD12 LEU A 39 2.838 -0.565 8.855 1.00 1.25 H new ATOM 0 HD13 LEU A 39 1.874 -0.558 10.351 1.00 1.25 H new ATOM 0 HD21 LEU A 39 2.307 2.482 10.917 1.00 1.44 H new ATOM 0 HD22 LEU A 39 2.489 1.249 12.188 1.00 1.44 H new ATOM 0 HD23 LEU A 39 3.833 2.359 11.825 1.00 1.44 H new ATOM 598 N GLY A 40 7.751 -0.253 12.803 1.00 0.86 N ATOM 599 CA GLY A 40 8.623 -1.120 13.578 1.00 0.94 C ATOM 600 C GLY A 40 8.350 -2.592 13.267 1.00 0.87 C ATOM 601 O GLY A 40 7.975 -3.359 14.153 1.00 1.76 O ATOM 0 H GLY A 40 8.201 0.585 12.435 1.00 0.86 H new ATOM 0 HA2 GLY A 40 9.664 -0.885 13.358 1.00 0.94 H new ATOM 0 HA3 GLY A 40 8.473 -0.936 14.642 1.00 0.94 H new ATOM 605 N GLN A 41 8.549 -2.944 12.005 1.00 1.00 N ATOM 606 CA GLN A 41 8.329 -4.312 11.566 1.00 0.81 C ATOM 607 C GLN A 41 9.515 -4.798 10.731 1.00 1.13 C ATOM 608 O GLN A 41 9.983 -5.922 10.907 1.00 3.01 O ATOM 609 CB GLN A 41 7.020 -4.432 10.783 1.00 0.64 C ATOM 610 CG GLN A 41 6.098 -5.479 11.413 1.00 1.79 C ATOM 611 CD GLN A 41 5.177 -6.101 10.362 1.00 2.49 C ATOM 612 OE1 GLN A 41 5.598 -6.502 9.289 1.00 3.52 O ATOM 613 NE2 GLN A 41 3.900 -6.160 10.728 1.00 2.95 N ATOM 0 H GLN A 41 8.860 -2.306 11.273 1.00 1.00 H new ATOM 0 HA GLN A 41 8.246 -4.948 12.447 1.00 0.81 H new ATOM 0 HB2 GLN A 41 6.516 -3.466 10.759 1.00 0.64 H new ATOM 0 HB3 GLN A 41 7.234 -4.705 9.750 1.00 0.64 H new ATOM 0 HG2 GLN A 41 6.696 -6.259 11.885 1.00 1.79 H new ATOM 0 HG3 GLN A 41 5.500 -5.017 12.198 1.00 1.79 H new ATOM 0 HE21 GLN A 41 3.614 -5.806 11.641 1.00 2.95 H new ATOM 0 HE22 GLN A 41 3.206 -6.559 10.096 1.00 2.95 H new ATOM 622 N ASN A 42 9.966 -3.929 9.839 1.00 1.20 N ATOM 623 CA ASN A 42 11.088 -4.256 8.976 1.00 1.10 C ATOM 624 C ASN A 42 10.858 -5.631 8.346 1.00 0.92 C ATOM 625 O ASN A 42 11.646 -6.552 8.552 1.00 0.95 O ATOM 626 CB ASN A 42 12.395 -4.312 9.769 1.00 1.27 C ATOM 627 CG ASN A 42 13.489 -3.491 9.083 1.00 1.71 C ATOM 628 OD1 ASN A 42 14.433 -4.017 8.518 1.00 2.17 O ATOM 629 ND2 ASN A 42 13.309 -2.176 9.165 1.00 1.91 N ATOM 0 H ASN A 42 9.575 -2.998 9.695 1.00 1.20 H new ATOM 0 HA ASN A 42 11.162 -3.482 8.212 1.00 1.10 H new ATOM 0 HB2 ASN A 42 12.229 -3.933 10.777 1.00 1.27 H new ATOM 0 HB3 ASN A 42 12.720 -5.348 9.868 1.00 1.27 H new ATOM 0 HD21 ASN A 42 13.984 -1.541 8.739 1.00 1.91 H new ATOM 0 HD22 ASN A 42 12.495 -1.802 9.654 1.00 1.91 H new ATOM 636 N PRO A 43 9.744 -5.729 7.571 1.00 0.78 N ATOM 637 CA PRO A 43 9.400 -6.976 6.910 1.00 0.66 C ATOM 638 C PRO A 43 10.306 -7.224 5.702 1.00 0.55 C ATOM 639 O PRO A 43 11.247 -6.470 5.462 1.00 0.59 O ATOM 640 CB PRO A 43 7.935 -6.831 6.534 1.00 0.62 C ATOM 641 CG PRO A 43 7.638 -5.340 6.580 1.00 0.67 C ATOM 642 CD PRO A 43 8.788 -4.659 7.305 1.00 0.79 C ATOM 0 HA PRO A 43 9.549 -7.846 7.549 1.00 0.66 H new ATOM 0 HB2 PRO A 43 7.745 -7.237 5.540 1.00 0.62 H new ATOM 0 HB3 PRO A 43 7.298 -7.378 7.229 1.00 0.62 H new ATOM 0 HG2 PRO A 43 7.532 -4.940 5.571 1.00 0.67 H new ATOM 0 HG3 PRO A 43 6.697 -5.154 7.097 1.00 0.67 H new ATOM 0 HD2 PRO A 43 9.232 -3.874 6.693 1.00 0.79 H new ATOM 0 HD3 PRO A 43 8.451 -4.190 8.230 1.00 0.79 H new ATOM 650 N THR A 44 9.989 -8.284 4.973 1.00 0.48 N ATOM 651 CA THR A 44 10.761 -8.641 3.795 1.00 0.42 C ATOM 652 C THR A 44 9.926 -8.444 2.529 1.00 0.35 C ATOM 653 O THR A 44 8.742 -8.778 2.504 1.00 0.38 O ATOM 654 CB THR A 44 11.263 -10.075 3.976 1.00 0.50 C ATOM 655 OG1 THR A 44 10.237 -10.709 4.734 1.00 0.64 O ATOM 656 CG2 THR A 44 12.497 -10.154 4.877 1.00 0.60 C ATOM 0 H THR A 44 9.208 -8.907 5.176 1.00 0.48 H new ATOM 0 HA THR A 44 11.628 -7.990 3.678 1.00 0.42 H new ATOM 0 HB THR A 44 11.498 -10.503 3.002 1.00 0.50 H new ATOM 0 HG1 THR A 44 10.480 -11.644 4.896 1.00 0.64 H new ATOM 0 HG21 THR A 44 12.812 -11.193 4.972 1.00 0.60 H new ATOM 0 HG22 THR A 44 13.305 -9.568 4.439 1.00 0.60 H new ATOM 0 HG23 THR A 44 12.254 -9.757 5.863 1.00 0.60 H new ATOM 664 N GLU A 45 10.574 -7.903 1.508 1.00 0.35 N ATOM 665 CA GLU A 45 9.905 -7.658 0.242 1.00 0.35 C ATOM 666 C GLU A 45 9.408 -8.974 -0.359 1.00 0.36 C ATOM 667 O GLU A 45 8.527 -8.975 -1.218 1.00 0.41 O ATOM 668 CB GLU A 45 10.829 -6.925 -0.733 1.00 0.40 C ATOM 669 CG GLU A 45 12.008 -7.811 -1.143 1.00 0.43 C ATOM 670 CD GLU A 45 13.212 -6.963 -1.558 1.00 1.31 C ATOM 671 OE1 GLU A 45 13.618 -6.113 -0.736 1.00 2.39 O ATOM 672 OE2 GLU A 45 13.700 -7.184 -2.687 1.00 2.39 O ATOM 0 H GLU A 45 11.556 -7.627 1.532 1.00 0.35 H new ATOM 0 HA GLU A 45 9.043 -7.017 0.427 1.00 0.35 H new ATOM 0 HB2 GLU A 45 10.267 -6.628 -1.619 1.00 0.40 H new ATOM 0 HB3 GLU A 45 11.200 -6.011 -0.270 1.00 0.40 H new ATOM 0 HG2 GLU A 45 12.285 -8.461 -0.313 1.00 0.43 H new ATOM 0 HG3 GLU A 45 11.712 -8.458 -1.969 1.00 0.43 H new ATOM 679 N ALA A 46 9.993 -10.064 0.117 1.00 0.38 N ATOM 680 CA ALA A 46 9.619 -11.384 -0.362 1.00 0.46 C ATOM 681 C ALA A 46 8.173 -11.678 0.041 1.00 0.44 C ATOM 682 O ALA A 46 7.361 -12.075 -0.793 1.00 0.62 O ATOM 683 CB ALA A 46 10.600 -12.422 0.186 1.00 0.54 C ATOM 0 H ALA A 46 10.723 -10.060 0.829 1.00 0.38 H new ATOM 0 HA ALA A 46 9.672 -11.427 -1.450 1.00 0.46 H new ATOM 0 HB1 ALA A 46 10.320 -13.412 -0.173 1.00 0.54 H new ATOM 0 HB2 ALA A 46 11.608 -12.185 -0.154 1.00 0.54 H new ATOM 0 HB3 ALA A 46 10.572 -12.410 1.276 1.00 0.54 H new ATOM 689 N GLU A 47 7.896 -11.472 1.320 1.00 0.37 N ATOM 690 CA GLU A 47 6.562 -11.710 1.845 1.00 0.37 C ATOM 691 C GLU A 47 5.575 -10.692 1.268 1.00 0.34 C ATOM 692 O GLU A 47 4.437 -11.035 0.953 1.00 0.36 O ATOM 693 CB GLU A 47 6.558 -11.671 3.374 1.00 0.41 C ATOM 694 CG GLU A 47 7.250 -12.905 3.955 1.00 0.52 C ATOM 695 CD GLU A 47 6.225 -13.943 4.417 1.00 0.71 C ATOM 696 OE1 GLU A 47 5.736 -13.790 5.557 1.00 2.12 O ATOM 697 OE2 GLU A 47 5.953 -14.866 3.619 1.00 2.12 O ATOM 0 H GLU A 47 8.573 -11.143 2.009 1.00 0.37 H new ATOM 0 HA GLU A 47 6.246 -12.708 1.540 1.00 0.37 H new ATOM 0 HB2 GLU A 47 7.064 -10.769 3.720 1.00 0.41 H new ATOM 0 HB3 GLU A 47 5.532 -11.620 3.737 1.00 0.41 H new ATOM 0 HG2 GLU A 47 7.906 -13.346 3.204 1.00 0.52 H new ATOM 0 HG3 GLU A 47 7.879 -12.611 4.795 1.00 0.52 H new ATOM 704 N LEU A 48 6.048 -9.460 1.147 1.00 0.32 N ATOM 705 CA LEU A 48 5.222 -8.390 0.615 1.00 0.31 C ATOM 706 C LEU A 48 5.002 -8.619 -0.882 1.00 0.28 C ATOM 707 O LEU A 48 4.034 -8.120 -1.454 1.00 0.31 O ATOM 708 CB LEU A 48 5.832 -7.027 0.945 1.00 0.34 C ATOM 709 CG LEU A 48 5.556 -6.491 2.351 1.00 0.40 C ATOM 710 CD1 LEU A 48 4.072 -6.161 2.530 1.00 0.60 C ATOM 711 CD2 LEU A 48 6.059 -7.465 3.418 1.00 0.39 C ATOM 0 H LEU A 48 6.993 -9.179 1.408 1.00 0.32 H new ATOM 0 HA LEU A 48 4.240 -8.396 1.087 1.00 0.31 H new ATOM 0 HB2 LEU A 48 6.911 -7.091 0.808 1.00 0.34 H new ATOM 0 HB3 LEU A 48 5.462 -6.301 0.222 1.00 0.34 H new ATOM 0 HG LEU A 48 6.111 -5.561 2.477 1.00 0.40 H new ATOM 0 HD11 LEU A 48 3.903 -5.782 3.538 1.00 0.60 H new ATOM 0 HD12 LEU A 48 3.777 -5.404 1.803 1.00 0.60 H new ATOM 0 HD13 LEU A 48 3.478 -7.062 2.377 1.00 0.60 H new ATOM 0 HD21 LEU A 48 5.850 -7.060 4.408 1.00 0.39 H new ATOM 0 HD22 LEU A 48 5.552 -8.423 3.304 1.00 0.39 H new ATOM 0 HD23 LEU A 48 7.134 -7.607 3.303 1.00 0.39 H new ATOM 723 N GLN A 49 5.916 -9.374 -1.474 1.00 0.27 N ATOM 724 CA GLN A 49 5.834 -9.675 -2.893 1.00 0.29 C ATOM 725 C GLN A 49 4.484 -10.315 -3.222 1.00 0.27 C ATOM 726 O GLN A 49 3.904 -10.044 -4.273 1.00 0.26 O ATOM 727 CB GLN A 49 6.989 -10.578 -3.330 1.00 0.39 C ATOM 728 CG GLN A 49 7.027 -10.722 -4.852 1.00 0.60 C ATOM 729 CD GLN A 49 8.111 -11.712 -5.283 1.00 0.97 C ATOM 730 OE1 GLN A 49 9.134 -11.871 -4.637 1.00 1.17 O ATOM 731 NE2 GLN A 49 7.831 -12.367 -6.406 1.00 2.03 N ATOM 0 H GLN A 49 6.717 -9.786 -0.996 1.00 0.27 H new ATOM 0 HA GLN A 49 5.917 -8.741 -3.448 1.00 0.29 H new ATOM 0 HB2 GLN A 49 7.933 -10.163 -2.977 1.00 0.39 H new ATOM 0 HB3 GLN A 49 6.881 -11.561 -2.871 1.00 0.39 H new ATOM 0 HG2 GLN A 49 6.056 -11.061 -5.213 1.00 0.60 H new ATOM 0 HG3 GLN A 49 7.215 -9.750 -5.308 1.00 0.60 H new ATOM 0 HE21 GLN A 49 6.956 -12.186 -6.897 1.00 2.03 H new ATOM 0 HE22 GLN A 49 8.491 -13.051 -6.776 1.00 2.03 H new ATOM 740 N ASP A 50 4.022 -11.153 -2.305 1.00 0.31 N ATOM 741 CA ASP A 50 2.751 -11.834 -2.485 1.00 0.36 C ATOM 742 C ASP A 50 1.611 -10.825 -2.331 1.00 0.34 C ATOM 743 O ASP A 50 0.578 -10.946 -2.987 1.00 0.38 O ATOM 744 CB ASP A 50 2.559 -12.929 -1.434 1.00 0.46 C ATOM 745 CG ASP A 50 1.372 -13.861 -1.681 1.00 0.62 C ATOM 746 OD1 ASP A 50 1.152 -14.199 -2.864 1.00 1.57 O ATOM 747 OD2 ASP A 50 0.710 -14.214 -0.681 1.00 1.99 O ATOM 0 H ASP A 50 4.505 -11.376 -1.435 1.00 0.31 H new ATOM 0 HA ASP A 50 2.746 -12.283 -3.478 1.00 0.36 H new ATOM 0 HB2 ASP A 50 3.468 -13.528 -1.385 1.00 0.46 H new ATOM 0 HB3 ASP A 50 2.435 -12.458 -0.459 1.00 0.46 H new ATOM 752 N MET A 51 1.837 -9.853 -1.460 1.00 0.33 N ATOM 753 CA MET A 51 0.842 -8.824 -1.211 1.00 0.39 C ATOM 754 C MET A 51 0.711 -7.886 -2.412 1.00 0.37 C ATOM 755 O MET A 51 -0.367 -7.758 -2.990 1.00 0.41 O ATOM 756 CB MET A 51 1.240 -8.017 0.027 1.00 0.42 C ATOM 757 CG MET A 51 0.305 -8.316 1.200 1.00 0.99 C ATOM 758 SD MET A 51 -1.275 -7.527 0.939 1.00 2.12 S ATOM 759 CE MET A 51 -2.297 -8.963 0.658 1.00 3.59 C ATOM 0 H MET A 51 2.695 -9.756 -0.917 1.00 0.33 H new ATOM 0 HA MET A 51 -0.120 -9.308 -1.046 1.00 0.39 H new ATOM 0 HB2 MET A 51 2.267 -8.255 0.306 1.00 0.42 H new ATOM 0 HB3 MET A 51 1.211 -6.952 -0.204 1.00 0.42 H new ATOM 0 HG2 MET A 51 0.170 -9.393 1.303 1.00 0.99 H new ATOM 0 HG3 MET A 51 0.749 -7.960 2.130 1.00 0.99 H new ATOM 0 HE1 MET A 51 -3.232 -8.658 0.188 1.00 3.59 H new ATOM 0 HE2 MET A 51 -1.773 -9.660 0.005 1.00 3.59 H new ATOM 0 HE3 MET A 51 -2.511 -9.449 1.610 1.00 3.59 H new ATOM 769 N ILE A 52 1.825 -7.253 -2.753 1.00 0.33 N ATOM 770 CA ILE A 52 1.849 -6.331 -3.875 1.00 0.35 C ATOM 771 C ILE A 52 1.170 -6.983 -5.081 1.00 0.33 C ATOM 772 O ILE A 52 0.316 -6.374 -5.722 1.00 0.31 O ATOM 773 CB ILE A 52 3.278 -5.861 -4.152 1.00 0.35 C ATOM 774 CG1 ILE A 52 4.181 -7.041 -4.519 1.00 0.28 C ATOM 775 CG2 ILE A 52 3.832 -5.061 -2.972 1.00 0.46 C ATOM 776 CD1 ILE A 52 4.059 -7.384 -6.005 1.00 0.29 C ATOM 0 H ILE A 52 2.717 -7.361 -2.271 1.00 0.33 H new ATOM 0 HA ILE A 52 1.283 -5.430 -3.640 1.00 0.35 H new ATOM 0 HB ILE A 52 3.256 -5.191 -5.012 1.00 0.35 H new ATOM 0 HG12 ILE A 52 5.217 -6.798 -4.282 1.00 0.28 H new ATOM 0 HG13 ILE A 52 3.912 -7.910 -3.918 1.00 0.28 H new ATOM 0 HG21 ILE A 52 4.849 -4.739 -3.196 1.00 0.46 H new ATOM 0 HG22 ILE A 52 3.205 -4.187 -2.799 1.00 0.46 H new ATOM 0 HG23 ILE A 52 3.838 -5.686 -2.079 1.00 0.46 H new ATOM 0 HD11 ILE A 52 4.711 -8.226 -6.239 1.00 0.29 H new ATOM 0 HD12 ILE A 52 3.027 -7.650 -6.233 1.00 0.29 H new ATOM 0 HD13 ILE A 52 4.352 -6.521 -6.603 1.00 0.29 H new ATOM 788 N ASN A 53 1.576 -8.215 -5.353 1.00 0.36 N ATOM 789 CA ASN A 53 1.018 -8.957 -6.470 1.00 0.36 C ATOM 790 C ASN A 53 -0.458 -9.250 -6.196 1.00 0.37 C ATOM 791 O ASN A 53 -1.261 -9.330 -7.124 1.00 0.37 O ATOM 792 CB ASN A 53 1.739 -10.294 -6.658 1.00 0.44 C ATOM 793 CG ASN A 53 1.184 -11.050 -7.867 1.00 0.95 C ATOM 794 OD1 ASN A 53 0.918 -10.487 -8.916 1.00 1.27 O ATOM 795 ND2 ASN A 53 1.025 -12.355 -7.662 1.00 1.94 N ATOM 0 H ASN A 53 2.285 -8.717 -4.819 1.00 0.36 H new ATOM 0 HA ASN A 53 1.138 -8.353 -7.369 1.00 0.36 H new ATOM 0 HB2 ASN A 53 2.807 -10.120 -6.792 1.00 0.44 H new ATOM 0 HB3 ASN A 53 1.625 -10.902 -5.761 1.00 0.44 H new ATOM 0 HD21 ASN A 53 0.661 -12.948 -8.408 1.00 1.94 H new ATOM 0 HD22 ASN A 53 1.268 -12.763 -6.759 1.00 1.94 H new ATOM 802 N GLU A 54 -0.771 -9.402 -4.918 1.00 0.42 N ATOM 803 CA GLU A 54 -2.137 -9.684 -4.510 1.00 0.50 C ATOM 804 C GLU A 54 -3.022 -8.456 -4.732 1.00 0.45 C ATOM 805 O GLU A 54 -3.999 -8.517 -5.477 1.00 0.50 O ATOM 806 CB GLU A 54 -2.190 -10.142 -3.051 1.00 0.60 C ATOM 807 CG GLU A 54 -3.634 -10.368 -2.599 1.00 0.66 C ATOM 808 CD GLU A 54 -3.961 -11.862 -2.537 1.00 0.95 C ATOM 809 OE1 GLU A 54 -3.804 -12.521 -3.587 1.00 1.71 O ATOM 810 OE2 GLU A 54 -4.361 -12.310 -1.441 1.00 1.96 O ATOM 0 H GLU A 54 -0.102 -9.335 -4.151 1.00 0.42 H new ATOM 0 HA GLU A 54 -2.519 -10.498 -5.126 1.00 0.50 H new ATOM 0 HB2 GLU A 54 -1.620 -11.064 -2.935 1.00 0.60 H new ATOM 0 HB3 GLU A 54 -1.719 -9.394 -2.414 1.00 0.60 H new ATOM 0 HG2 GLU A 54 -3.787 -9.918 -1.618 1.00 0.66 H new ATOM 0 HG3 GLU A 54 -4.317 -9.871 -3.288 1.00 0.66 H new ATOM 817 N VAL A 55 -2.647 -7.370 -4.072 1.00 0.39 N ATOM 818 CA VAL A 55 -3.395 -6.129 -4.188 1.00 0.38 C ATOM 819 C VAL A 55 -3.405 -5.679 -5.650 1.00 0.36 C ATOM 820 O VAL A 55 -4.426 -5.212 -6.153 1.00 0.46 O ATOM 821 CB VAL A 55 -2.812 -5.077 -3.242 1.00 0.36 C ATOM 822 CG1 VAL A 55 -2.741 -5.607 -1.809 1.00 0.40 C ATOM 823 CG2 VAL A 55 -1.437 -4.610 -3.723 1.00 0.35 C ATOM 0 H VAL A 55 -1.836 -7.323 -3.456 1.00 0.39 H new ATOM 0 HA VAL A 55 -4.432 -6.278 -3.887 1.00 0.38 H new ATOM 0 HB VAL A 55 -3.479 -4.215 -3.247 1.00 0.36 H new ATOM 0 HG11 VAL A 55 -2.323 -4.840 -1.158 1.00 0.40 H new ATOM 0 HG12 VAL A 55 -3.743 -5.867 -1.467 1.00 0.40 H new ATOM 0 HG13 VAL A 55 -2.106 -6.493 -1.780 1.00 0.40 H new ATOM 0 HG21 VAL A 55 -1.045 -3.863 -3.033 1.00 0.35 H new ATOM 0 HG22 VAL A 55 -0.757 -5.461 -3.761 1.00 0.35 H new ATOM 0 HG23 VAL A 55 -1.528 -4.173 -4.718 1.00 0.35 H new ATOM 833 N ASP A 56 -2.256 -5.836 -6.292 1.00 0.29 N ATOM 834 CA ASP A 56 -2.120 -5.452 -7.686 1.00 0.29 C ATOM 835 C ASP A 56 -3.158 -6.204 -8.522 1.00 0.36 C ATOM 836 O ASP A 56 -3.052 -7.415 -8.706 1.00 0.45 O ATOM 837 CB ASP A 56 -0.732 -5.809 -8.223 1.00 0.35 C ATOM 838 CG ASP A 56 -0.540 -5.578 -9.723 1.00 0.42 C ATOM 839 OD1 ASP A 56 -0.528 -4.392 -10.117 1.00 0.56 O ATOM 840 OD2 ASP A 56 -0.409 -6.592 -10.442 1.00 0.76 O ATOM 0 H ASP A 56 -1.411 -6.224 -5.872 1.00 0.29 H new ATOM 0 HA ASP A 56 -2.267 -4.374 -7.754 1.00 0.29 H new ATOM 0 HB2 ASP A 56 0.012 -5.224 -7.682 1.00 0.35 H new ATOM 0 HB3 ASP A 56 -0.533 -6.858 -8.004 1.00 0.35 H new ATOM 845 N ALA A 57 -4.138 -5.454 -9.005 1.00 0.42 N ATOM 846 CA ALA A 57 -5.194 -6.034 -9.817 1.00 0.56 C ATOM 847 C ALA A 57 -4.898 -5.771 -11.295 1.00 0.58 C ATOM 848 O ALA A 57 -4.893 -6.697 -12.105 1.00 0.64 O ATOM 849 CB ALA A 57 -6.545 -5.463 -9.381 1.00 0.68 C ATOM 0 H ALA A 57 -4.223 -4.450 -8.849 1.00 0.42 H new ATOM 0 HA ALA A 57 -5.237 -7.114 -9.677 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -7.337 -5.898 -9.990 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -6.720 -5.703 -8.332 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -6.541 -4.381 -9.510 1.00 0.68 H new ATOM 855 N ASP A 58 -4.660 -4.504 -11.601 1.00 0.59 N ATOM 856 CA ASP A 58 -4.365 -4.108 -12.967 1.00 0.64 C ATOM 857 C ASP A 58 -3.395 -5.115 -13.588 1.00 0.61 C ATOM 858 O ASP A 58 -3.410 -5.332 -14.799 1.00 0.68 O ATOM 859 CB ASP A 58 -3.704 -2.728 -13.010 1.00 0.67 C ATOM 860 CG ASP A 58 -3.081 -2.269 -11.690 1.00 0.97 C ATOM 861 OD1 ASP A 58 -2.082 -2.900 -11.284 1.00 1.32 O ATOM 862 OD2 ASP A 58 -3.619 -1.296 -11.117 1.00 2.19 O ATOM 0 H ASP A 58 -4.666 -3.739 -10.926 1.00 0.59 H new ATOM 0 HA ASP A 58 -5.305 -4.076 -13.519 1.00 0.64 H new ATOM 0 HB2 ASP A 58 -2.929 -2.736 -13.777 1.00 0.67 H new ATOM 0 HB3 ASP A 58 -4.449 -1.994 -13.318 1.00 0.67 H new ATOM 867 N GLY A 59 -2.575 -5.705 -12.731 1.00 0.56 N ATOM 868 CA GLY A 59 -1.600 -6.684 -13.180 1.00 0.58 C ATOM 869 C GLY A 59 -0.278 -6.011 -13.553 1.00 0.54 C ATOM 870 O GLY A 59 -0.221 -5.233 -14.504 1.00 0.76 O ATOM 0 H GLY A 59 -2.566 -5.524 -11.727 1.00 0.56 H new ATOM 0 HA2 GLY A 59 -1.429 -7.419 -12.393 1.00 0.58 H new ATOM 0 HA3 GLY A 59 -1.993 -7.225 -14.041 1.00 0.58 H new ATOM 874 N ASP A 60 0.752 -6.335 -12.785 1.00 0.45 N ATOM 875 CA ASP A 60 2.070 -5.771 -13.024 1.00 0.45 C ATOM 876 C ASP A 60 3.003 -6.164 -11.876 1.00 0.46 C ATOM 877 O ASP A 60 4.089 -6.691 -12.108 1.00 0.59 O ATOM 878 CB ASP A 60 2.012 -4.243 -13.085 1.00 0.47 C ATOM 879 CG ASP A 60 1.329 -3.574 -11.891 1.00 0.99 C ATOM 880 OD1 ASP A 60 1.995 -3.473 -10.838 1.00 2.76 O ATOM 881 OD2 ASP A 60 0.155 -3.178 -12.058 1.00 0.98 O ATOM 0 H ASP A 60 0.701 -6.981 -11.997 1.00 0.45 H new ATOM 0 HA ASP A 60 2.435 -6.156 -13.976 1.00 0.45 H new ATOM 0 HB2 ASP A 60 3.029 -3.859 -13.165 1.00 0.47 H new ATOM 0 HB3 ASP A 60 1.488 -3.950 -13.995 1.00 0.47 H new ATOM 886 N GLY A 61 2.544 -5.891 -10.664 1.00 0.44 N ATOM 887 CA GLY A 61 3.325 -6.209 -9.480 1.00 0.48 C ATOM 888 C GLY A 61 3.710 -4.939 -8.719 1.00 0.61 C ATOM 889 O GLY A 61 4.864 -4.772 -8.327 1.00 1.31 O ATOM 0 H GLY A 61 1.642 -5.454 -10.476 1.00 0.44 H new ATOM 0 HA2 GLY A 61 2.752 -6.868 -8.828 1.00 0.48 H new ATOM 0 HA3 GLY A 61 4.225 -6.751 -9.769 1.00 0.48 H new ATOM 893 N THR A 62 2.722 -4.076 -8.534 1.00 0.44 N ATOM 894 CA THR A 62 2.944 -2.825 -7.828 1.00 0.41 C ATOM 895 C THR A 62 1.648 -2.348 -7.169 1.00 0.33 C ATOM 896 O THR A 62 0.557 -2.740 -7.581 1.00 0.28 O ATOM 897 CB THR A 62 3.528 -1.818 -8.821 1.00 0.50 C ATOM 898 OG1 THR A 62 4.653 -2.493 -9.378 1.00 0.61 O ATOM 899 CG2 THR A 62 4.132 -0.595 -8.127 1.00 0.51 C ATOM 0 H THR A 62 1.766 -4.218 -8.860 1.00 0.44 H new ATOM 0 HA THR A 62 3.658 -2.951 -7.014 1.00 0.41 H new ATOM 0 HB THR A 62 2.749 -1.495 -9.512 1.00 0.50 H new ATOM 0 HG1 THR A 62 5.091 -1.912 -10.034 1.00 0.61 H new ATOM 0 HG21 THR A 62 4.532 0.088 -8.876 1.00 0.51 H new ATOM 0 HG22 THR A 62 3.360 -0.087 -7.548 1.00 0.51 H new ATOM 0 HG23 THR A 62 4.934 -0.914 -7.461 1.00 0.51 H new ATOM 907 N ILE A 63 1.810 -1.508 -6.158 1.00 0.41 N ATOM 908 CA ILE A 63 0.666 -0.973 -5.439 1.00 0.37 C ATOM 909 C ILE A 63 0.325 0.413 -5.991 1.00 0.40 C ATOM 910 O ILE A 63 1.096 0.986 -6.760 1.00 0.60 O ATOM 911 CB ILE A 63 0.927 -0.987 -3.931 1.00 0.40 C ATOM 912 CG1 ILE A 63 1.339 -2.383 -3.459 1.00 0.50 C ATOM 913 CG2 ILE A 63 -0.283 -0.455 -3.161 1.00 0.45 C ATOM 914 CD1 ILE A 63 1.339 -2.467 -1.932 1.00 0.54 C ATOM 0 H ILE A 63 2.716 -1.184 -5.819 1.00 0.41 H new ATOM 0 HA ILE A 63 -0.210 -1.603 -5.594 1.00 0.37 H new ATOM 0 HB ILE A 63 1.761 -0.318 -3.722 1.00 0.40 H new ATOM 0 HG12 ILE A 63 0.654 -3.126 -3.868 1.00 0.50 H new ATOM 0 HG13 ILE A 63 2.332 -2.621 -3.840 1.00 0.50 H new ATOM 0 HG21 ILE A 63 -0.072 -0.476 -2.092 1.00 0.45 H new ATOM 0 HG22 ILE A 63 -0.489 0.570 -3.470 1.00 0.45 H new ATOM 0 HG23 ILE A 63 -1.151 -1.079 -3.371 1.00 0.45 H new ATOM 0 HD11 ILE A 63 1.635 -3.469 -1.623 1.00 0.54 H new ATOM 0 HD12 ILE A 63 2.043 -1.740 -1.528 1.00 0.54 H new ATOM 0 HD13 ILE A 63 0.339 -2.252 -1.556 1.00 0.54 H new ATOM 926 N ASP A 64 -0.831 0.911 -5.577 1.00 0.41 N ATOM 927 CA ASP A 64 -1.283 2.219 -6.020 1.00 0.45 C ATOM 928 C ASP A 64 -2.282 2.779 -5.006 1.00 0.44 C ATOM 929 O ASP A 64 -2.647 2.099 -4.048 1.00 0.50 O ATOM 930 CB ASP A 64 -1.987 2.128 -7.376 1.00 0.48 C ATOM 931 CG ASP A 64 -2.058 3.441 -8.157 1.00 1.34 C ATOM 932 OD1 ASP A 64 -1.486 4.432 -7.654 1.00 2.63 O ATOM 933 OD2 ASP A 64 -2.682 3.424 -9.240 1.00 2.23 O ATOM 0 H ASP A 64 -1.468 0.433 -4.940 1.00 0.41 H new ATOM 0 HA ASP A 64 -0.410 2.865 -6.109 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -1.472 1.387 -7.987 1.00 0.48 H new ATOM 0 HB3 ASP A 64 -3.001 1.761 -7.218 1.00 0.48 H new ATOM 938 N PHE A 65 -2.697 4.013 -5.251 1.00 0.45 N ATOM 939 CA PHE A 65 -3.647 4.672 -4.371 1.00 0.47 C ATOM 940 C PHE A 65 -4.941 3.864 -4.257 1.00 0.46 C ATOM 941 O PHE A 65 -5.395 3.565 -3.154 1.00 0.48 O ATOM 942 CB PHE A 65 -3.963 6.034 -4.993 1.00 0.52 C ATOM 943 CG PHE A 65 -3.694 7.220 -4.065 1.00 0.73 C ATOM 944 CD1 PHE A 65 -4.058 7.155 -2.756 1.00 0.52 C ATOM 945 CD2 PHE A 65 -3.091 8.339 -4.549 1.00 1.80 C ATOM 946 CE1 PHE A 65 -3.808 8.256 -1.895 1.00 0.47 C ATOM 947 CE2 PHE A 65 -2.841 9.440 -3.688 1.00 2.06 C ATOM 948 CZ PHE A 65 -3.205 9.375 -2.379 1.00 1.21 C ATOM 0 H PHE A 65 -2.393 4.574 -6.047 1.00 0.45 H new ATOM 0 HA PHE A 65 -3.222 4.770 -3.372 1.00 0.47 H new ATOM 0 HB2 PHE A 65 -3.370 6.154 -5.900 1.00 0.52 H new ATOM 0 HB3 PHE A 65 -5.011 6.051 -5.292 1.00 0.52 H new ATOM 0 HD1 PHE A 65 -4.537 6.266 -2.372 1.00 0.52 H new ATOM 0 HD2 PHE A 65 -2.802 8.390 -5.588 1.00 1.80 H new ATOM 0 HE1 PHE A 65 -4.097 8.205 -0.856 1.00 0.47 H new ATOM 0 HE2 PHE A 65 -2.362 10.329 -4.072 1.00 2.06 H new ATOM 0 HZ PHE A 65 -3.015 10.212 -1.724 1.00 1.21 H new ATOM 958 N PRO A 66 -5.514 3.525 -5.443 1.00 0.45 N ATOM 959 CA PRO A 66 -6.746 2.757 -5.487 1.00 0.48 C ATOM 960 C PRO A 66 -6.489 1.287 -5.152 1.00 0.46 C ATOM 961 O PRO A 66 -7.346 0.619 -4.575 1.00 0.58 O ATOM 962 CB PRO A 66 -7.286 2.960 -6.893 1.00 0.53 C ATOM 963 CG PRO A 66 -6.111 3.448 -7.725 1.00 0.49 C ATOM 964 CD PRO A 66 -5.004 3.863 -6.769 1.00 0.44 C ATOM 0 HA PRO A 66 -7.473 3.086 -4.744 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -7.689 2.030 -7.294 1.00 0.53 H new ATOM 0 HB3 PRO A 66 -8.097 3.688 -6.898 1.00 0.53 H new ATOM 0 HG2 PRO A 66 -5.763 2.660 -8.393 1.00 0.49 H new ATOM 0 HG3 PRO A 66 -6.410 4.289 -8.351 1.00 0.49 H new ATOM 0 HD2 PRO A 66 -4.076 3.333 -6.983 1.00 0.44 H new ATOM 0 HD3 PRO A 66 -4.789 4.928 -6.851 1.00 0.44 H new ATOM 972 N GLU A 67 -5.304 0.826 -5.527 1.00 0.37 N ATOM 973 CA GLU A 67 -4.923 -0.553 -5.273 1.00 0.36 C ATOM 974 C GLU A 67 -4.758 -0.790 -3.770 1.00 0.36 C ATOM 975 O GLU A 67 -5.402 -1.671 -3.203 1.00 0.43 O ATOM 976 CB GLU A 67 -3.644 -0.916 -6.029 1.00 0.34 C ATOM 977 CG GLU A 67 -3.951 -1.281 -7.483 1.00 0.38 C ATOM 978 CD GLU A 67 -2.670 -1.630 -8.243 1.00 0.37 C ATOM 979 OE1 GLU A 67 -1.684 -0.883 -8.067 1.00 1.53 O ATOM 980 OE2 GLU A 67 -2.707 -2.637 -8.984 1.00 1.50 O ATOM 0 H GLU A 67 -4.596 1.383 -6.005 1.00 0.37 H new ATOM 0 HA GLU A 67 -5.718 -1.203 -5.638 1.00 0.36 H new ATOM 0 HB2 GLU A 67 -2.950 -0.076 -6.000 1.00 0.34 H new ATOM 0 HB3 GLU A 67 -3.151 -1.754 -5.536 1.00 0.34 H new ATOM 0 HG2 GLU A 67 -4.637 -2.127 -7.512 1.00 0.38 H new ATOM 0 HG3 GLU A 67 -4.453 -0.447 -7.973 1.00 0.38 H new ATOM 987 N PHE A 68 -3.891 0.012 -3.169 1.00 0.33 N ATOM 988 CA PHE A 68 -3.633 -0.100 -1.743 1.00 0.35 C ATOM 989 C PHE A 68 -4.915 0.115 -0.936 1.00 0.35 C ATOM 990 O PHE A 68 -5.163 -0.591 0.040 1.00 0.36 O ATOM 991 CB PHE A 68 -2.628 0.996 -1.384 1.00 0.41 C ATOM 992 CG PHE A 68 -1.807 0.700 -0.127 1.00 0.61 C ATOM 993 CD1 PHE A 68 -1.356 -0.561 0.109 1.00 1.33 C ATOM 994 CD2 PHE A 68 -1.528 1.698 0.754 1.00 0.35 C ATOM 995 CE1 PHE A 68 -0.594 -0.837 1.275 1.00 1.60 C ATOM 996 CE2 PHE A 68 -0.766 1.422 1.920 1.00 0.47 C ATOM 997 CZ PHE A 68 -0.315 0.161 2.156 1.00 1.11 C ATOM 0 H PHE A 68 -3.359 0.742 -3.643 1.00 0.33 H new ATOM 0 HA PHE A 68 -3.252 -1.094 -1.510 1.00 0.35 H new ATOM 0 HB2 PHE A 68 -1.948 1.141 -2.224 1.00 0.41 H new ATOM 0 HB3 PHE A 68 -3.164 1.934 -1.243 1.00 0.41 H new ATOM 0 HD1 PHE A 68 -1.578 -1.353 -0.591 1.00 1.33 H new ATOM 0 HD2 PHE A 68 -1.886 2.700 0.567 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -0.236 -1.839 1.462 1.00 1.60 H new ATOM 0 HE2 PHE A 68 -0.544 2.214 2.620 1.00 0.47 H new ATOM 0 HZ PHE A 68 0.265 -0.048 3.043 1.00 1.11 H new ATOM 1007 N LEU A 69 -5.695 1.093 -1.373 1.00 0.39 N ATOM 1008 CA LEU A 69 -6.945 1.409 -0.702 1.00 0.43 C ATOM 1009 C LEU A 69 -7.738 0.121 -0.478 1.00 0.35 C ATOM 1010 O LEU A 69 -8.166 -0.162 0.640 1.00 0.40 O ATOM 1011 CB LEU A 69 -7.715 2.478 -1.481 1.00 0.58 C ATOM 1012 CG LEU A 69 -9.199 2.194 -1.721 1.00 1.00 C ATOM 1013 CD1 LEU A 69 -9.984 2.237 -0.408 1.00 1.79 C ATOM 1014 CD2 LEU A 69 -9.778 3.149 -2.767 1.00 1.61 C ATOM 0 H LEU A 69 -5.486 1.677 -2.183 1.00 0.39 H new ATOM 0 HA LEU A 69 -6.752 1.840 0.281 1.00 0.43 H new ATOM 0 HB2 LEU A 69 -7.628 3.423 -0.945 1.00 0.58 H new ATOM 0 HB3 LEU A 69 -7.231 2.614 -2.448 1.00 0.58 H new ATOM 0 HG LEU A 69 -9.294 1.184 -2.120 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -11.036 2.032 -0.606 1.00 1.79 H new ATOM 0 HD12 LEU A 69 -9.590 1.485 0.276 1.00 1.79 H new ATOM 0 HD13 LEU A 69 -9.886 3.225 0.043 1.00 1.79 H new ATOM 0 HD21 LEU A 69 -10.834 2.926 -2.919 1.00 1.61 H new ATOM 0 HD22 LEU A 69 -9.671 4.177 -2.420 1.00 1.61 H new ATOM 0 HD23 LEU A 69 -9.242 3.026 -3.708 1.00 1.61 H new ATOM 1026 N THR A 70 -7.911 -0.627 -1.558 1.00 0.36 N ATOM 1027 CA THR A 70 -8.645 -1.879 -1.493 1.00 0.42 C ATOM 1028 C THR A 70 -8.020 -2.810 -0.452 1.00 0.42 C ATOM 1029 O THR A 70 -8.719 -3.341 0.410 1.00 0.54 O ATOM 1030 CB THR A 70 -8.683 -2.478 -2.900 1.00 0.52 C ATOM 1031 OG1 THR A 70 -9.592 -1.641 -3.610 1.00 0.65 O ATOM 1032 CG2 THR A 70 -9.346 -3.857 -2.931 1.00 0.64 C ATOM 0 H THR A 70 -7.555 -0.389 -2.484 1.00 0.36 H new ATOM 0 HA THR A 70 -9.672 -1.719 -1.165 1.00 0.42 H new ATOM 0 HB THR A 70 -7.668 -2.554 -3.289 1.00 0.52 H new ATOM 0 HG1 THR A 70 -9.102 -0.896 -4.016 1.00 0.65 H new ATOM 0 HG21 THR A 70 -9.347 -4.237 -3.953 1.00 0.64 H new ATOM 0 HG22 THR A 70 -8.791 -4.542 -2.289 1.00 0.64 H new ATOM 0 HG23 THR A 70 -10.372 -3.775 -2.573 1.00 0.64 H new ATOM 1040 N MET A 71 -6.711 -2.979 -0.566 1.00 0.41 N ATOM 1041 CA MET A 71 -5.985 -3.837 0.354 1.00 0.51 C ATOM 1042 C MET A 71 -6.369 -3.536 1.804 1.00 0.52 C ATOM 1043 O MET A 71 -6.872 -4.409 2.510 1.00 0.64 O ATOM 1044 CB MET A 71 -4.481 -3.625 0.170 1.00 0.56 C ATOM 1045 CG MET A 71 -3.686 -4.375 1.241 1.00 0.67 C ATOM 1046 SD MET A 71 -3.183 -3.247 2.530 1.00 2.32 S ATOM 1047 CE MET A 71 -1.775 -4.130 3.182 1.00 2.32 C ATOM 0 H MET A 71 -6.135 -2.536 -1.282 1.00 0.41 H new ATOM 0 HA MET A 71 -6.245 -4.873 0.137 1.00 0.51 H new ATOM 0 HB2 MET A 71 -4.180 -3.970 -0.819 1.00 0.56 H new ATOM 0 HB3 MET A 71 -4.251 -2.561 0.220 1.00 0.56 H new ATOM 0 HG2 MET A 71 -4.294 -5.175 1.663 1.00 0.67 H new ATOM 0 HG3 MET A 71 -2.809 -4.843 0.794 1.00 0.67 H new ATOM 0 HE1 MET A 71 -1.337 -3.561 4.002 1.00 2.32 H new ATOM 0 HE2 MET A 71 -2.095 -5.106 3.547 1.00 2.32 H new ATOM 0 HE3 MET A 71 -1.033 -4.263 2.395 1.00 2.32 H new ATOM 1057 N MET A 72 -6.118 -2.298 2.205 1.00 0.45 N ATOM 1058 CA MET A 72 -6.432 -1.872 3.558 1.00 0.50 C ATOM 1059 C MET A 72 -7.920 -2.061 3.861 1.00 0.53 C ATOM 1060 O MET A 72 -8.281 -2.792 4.783 1.00 0.67 O ATOM 1061 CB MET A 72 -6.060 -0.397 3.727 1.00 0.48 C ATOM 1062 CG MET A 72 -5.335 -0.164 5.054 1.00 1.10 C ATOM 1063 SD MET A 72 -6.461 0.533 6.251 1.00 2.29 S ATOM 1064 CE MET A 72 -5.295 1.126 7.465 1.00 2.72 C ATOM 0 H MET A 72 -5.701 -1.577 1.617 1.00 0.45 H new ATOM 0 HA MET A 72 -5.858 -2.484 4.254 1.00 0.50 H new ATOM 0 HB2 MET A 72 -5.423 -0.082 2.900 1.00 0.48 H new ATOM 0 HB3 MET A 72 -6.961 0.216 3.688 1.00 0.48 H new ATOM 0 HG2 MET A 72 -4.931 -1.105 5.427 1.00 1.10 H new ATOM 0 HG3 MET A 72 -4.490 0.508 4.903 1.00 1.10 H new ATOM 0 HE1 MET A 72 -5.834 1.594 8.289 1.00 2.72 H new ATOM 0 HE2 MET A 72 -4.708 0.290 7.844 1.00 2.72 H new ATOM 0 HE3 MET A 72 -4.630 1.857 7.004 1.00 2.72 H new ATOM 1074 N ALA A 73 -8.743 -1.391 3.069 1.00 0.48 N ATOM 1075 CA ALA A 73 -10.183 -1.476 3.241 1.00 0.61 C ATOM 1076 C ALA A 73 -10.582 -2.939 3.443 1.00 0.75 C ATOM 1077 O ALA A 73 -11.238 -3.277 4.427 1.00 0.91 O ATOM 1078 CB ALA A 73 -10.880 -0.843 2.035 1.00 0.62 C ATOM 0 H ALA A 73 -8.440 -0.786 2.306 1.00 0.48 H new ATOM 0 HA ALA A 73 -10.497 -0.923 4.126 1.00 0.61 H new ATOM 0 HB1 ALA A 73 -11.960 -0.907 2.164 1.00 0.62 H new ATOM 0 HB2 ALA A 73 -10.586 0.203 1.952 1.00 0.62 H new ATOM 0 HB3 ALA A 73 -10.591 -1.374 1.128 1.00 0.62 H new ATOM 1084 N ARG A 74 -10.170 -3.768 2.495 1.00 0.72 N ATOM 1085 CA ARG A 74 -10.476 -5.187 2.556 1.00 0.88 C ATOM 1086 C ARG A 74 -9.867 -5.808 3.815 1.00 0.98 C ATOM 1087 O ARG A 74 -10.500 -6.629 4.476 1.00 1.23 O ATOM 1088 CB ARG A 74 -9.942 -5.920 1.324 1.00 0.86 C ATOM 1089 CG ARG A 74 -10.779 -5.593 0.086 1.00 0.86 C ATOM 1090 CD ARG A 74 -11.684 -6.769 -0.290 1.00 1.09 C ATOM 1091 NE ARG A 74 -13.098 -6.333 -0.308 1.00 2.35 N ATOM 1092 CZ ARG A 74 -14.127 -7.132 -0.624 1.00 3.19 C ATOM 1093 NH1 ARG A 74 -13.904 -8.412 -0.951 1.00 3.33 N ATOM 1094 NH2 ARG A 74 -15.377 -6.650 -0.614 1.00 4.59 N ATOM 0 H ARG A 74 -9.627 -3.484 1.680 1.00 0.72 H new ATOM 0 HA ARG A 74 -11.561 -5.291 2.584 1.00 0.88 H new ATOM 0 HB2 ARG A 74 -8.904 -5.638 1.150 1.00 0.86 H new ATOM 0 HB3 ARG A 74 -9.955 -6.995 1.502 1.00 0.86 H new ATOM 0 HG2 ARG A 74 -11.387 -4.708 0.277 1.00 0.86 H new ATOM 0 HG3 ARG A 74 -10.121 -5.354 -0.750 1.00 0.86 H new ATOM 0 HD2 ARG A 74 -11.402 -7.157 -1.269 1.00 1.09 H new ATOM 0 HD3 ARG A 74 -11.554 -7.582 0.425 1.00 1.09 H new ATOM 0 HE ARG A 74 -13.303 -5.364 -0.065 1.00 2.35 H new ATOM 0 HH11 ARG A 74 -12.952 -8.778 -0.959 1.00 3.33 H new ATOM 0 HH12 ARG A 74 -14.686 -9.021 -1.192 1.00 3.33 H new ATOM 0 HH21 ARG A 74 -15.546 -5.675 -0.366 1.00 4.59 H new ATOM 0 HH22 ARG A 74 -16.160 -7.258 -0.854 1.00 4.59 H new ATOM 1108 N LYS A 75 -8.643 -5.391 4.108 1.00 0.83 N ATOM 1109 CA LYS A 75 -7.941 -5.896 5.276 1.00 0.95 C ATOM 1110 C LYS A 75 -8.911 -5.970 6.457 1.00 1.06 C ATOM 1111 O LYS A 75 -9.138 -7.043 7.012 1.00 1.24 O ATOM 1112 CB LYS A 75 -6.693 -5.056 5.555 1.00 0.93 C ATOM 1113 CG LYS A 75 -5.525 -5.939 5.997 1.00 1.04 C ATOM 1114 CD LYS A 75 -4.926 -6.692 4.807 1.00 1.68 C ATOM 1115 CE LYS A 75 -5.453 -8.127 4.744 1.00 1.92 C ATOM 1116 NZ LYS A 75 -4.361 -9.066 4.407 1.00 2.71 N ATOM 0 H LYS A 75 -8.120 -4.710 3.557 1.00 0.83 H new ATOM 0 HA LYS A 75 -7.581 -6.909 5.096 1.00 0.95 H new ATOM 0 HB2 LYS A 75 -6.415 -4.502 4.658 1.00 0.93 H new ATOM 0 HB3 LYS A 75 -6.911 -4.321 6.330 1.00 0.93 H new ATOM 0 HG2 LYS A 75 -4.757 -5.324 6.467 1.00 1.04 H new ATOM 0 HG3 LYS A 75 -5.867 -6.651 6.748 1.00 1.04 H new ATOM 0 HD2 LYS A 75 -5.170 -6.170 3.882 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -3.839 -6.703 4.889 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -5.893 -8.401 5.703 1.00 1.92 H new ATOM 0 HE3 LYS A 75 -6.244 -8.198 3.998 1.00 1.92 H new ATOM 0 HZ1 LYS A 75 -4.736 -10.035 4.368 1.00 2.71 H new ATOM 0 HZ2 LYS A 75 -3.959 -8.813 3.482 1.00 2.71 H new ATOM 0 HZ3 LYS A 75 -3.619 -9.011 5.134 1.00 2.71 H new ATOM 1130 N MET A 76 -9.456 -4.814 6.806 1.00 1.00 N ATOM 1131 CA MET A 76 -10.396 -4.733 7.911 1.00 1.13 C ATOM 1132 C MET A 76 -11.530 -5.747 7.742 1.00 1.22 C ATOM 1133 O MET A 76 -11.849 -6.487 8.670 1.00 1.30 O ATOM 1134 CB MET A 76 -10.980 -3.321 7.983 1.00 1.17 C ATOM 1135 CG MET A 76 -10.194 -2.452 8.967 1.00 1.69 C ATOM 1136 SD MET A 76 -11.320 -1.543 10.012 1.00 2.14 S ATOM 1137 CE MET A 76 -10.506 0.046 10.036 1.00 3.87 C ATOM 0 H MET A 76 -9.265 -3.926 6.343 1.00 1.00 H new ATOM 0 HA MET A 76 -9.863 -4.962 8.834 1.00 1.13 H new ATOM 0 HB2 MET A 76 -10.960 -2.865 6.993 1.00 1.17 H new ATOM 0 HB3 MET A 76 -12.025 -3.371 8.290 1.00 1.17 H new ATOM 0 HG2 MET A 76 -9.543 -3.077 9.578 1.00 1.69 H new ATOM 0 HG3 MET A 76 -9.552 -1.760 8.422 1.00 1.69 H new ATOM 0 HE1 MET A 76 -11.081 0.740 10.649 1.00 3.87 H new ATOM 0 HE2 MET A 76 -9.505 -0.064 10.454 1.00 3.87 H new ATOM 0 HE3 MET A 76 -10.434 0.434 9.020 1.00 3.87 H new ATOM 1147 N LYS A 77 -12.107 -5.747 6.549 1.00 1.31 N ATOM 1148 CA LYS A 77 -13.198 -6.657 6.246 1.00 1.44 C ATOM 1149 C LYS A 77 -12.754 -8.093 6.533 1.00 1.53 C ATOM 1150 O LYS A 77 -13.379 -8.792 7.329 1.00 1.66 O ATOM 1151 CB LYS A 77 -13.693 -6.442 4.814 1.00 1.51 C ATOM 1152 CG LYS A 77 -15.222 -6.458 4.755 1.00 1.71 C ATOM 1153 CD LYS A 77 -15.716 -6.320 3.314 1.00 1.89 C ATOM 1154 CE LYS A 77 -16.919 -5.378 3.234 1.00 2.34 C ATOM 1155 NZ LYS A 77 -18.168 -6.105 3.556 1.00 3.02 N ATOM 0 H LYS A 77 -11.839 -5.131 5.781 1.00 1.31 H new ATOM 0 HA LYS A 77 -14.054 -6.453 6.889 1.00 1.44 H new ATOM 0 HB2 LYS A 77 -13.321 -5.490 4.436 1.00 1.51 H new ATOM 0 HB3 LYS A 77 -13.292 -7.221 4.166 1.00 1.51 H new ATOM 0 HG2 LYS A 77 -15.596 -7.387 5.184 1.00 1.71 H new ATOM 0 HG3 LYS A 77 -15.621 -5.644 5.360 1.00 1.71 H new ATOM 0 HD2 LYS A 77 -14.911 -5.941 2.685 1.00 1.89 H new ATOM 0 HD3 LYS A 77 -15.991 -7.300 2.925 1.00 1.89 H new ATOM 0 HE2 LYS A 77 -16.785 -4.548 3.927 1.00 2.34 H new ATOM 0 HE3 LYS A 77 -16.988 -4.950 2.234 1.00 2.34 H new ATOM 0 HZ1 LYS A 77 -18.975 -5.452 3.497 1.00 3.02 H new ATOM 0 HZ2 LYS A 77 -18.302 -6.882 2.878 1.00 3.02 H new ATOM 0 HZ3 LYS A 77 -18.106 -6.492 4.519 1.00 3.02 H new ATOM 1169 N ASP A 78 -11.677 -8.490 5.870 1.00 1.53 N ATOM 1170 CA ASP A 78 -11.142 -9.829 6.045 1.00 1.70 C ATOM 1171 C ASP A 78 -10.910 -10.091 7.534 1.00 1.74 C ATOM 1172 O ASP A 78 -11.494 -11.010 8.105 1.00 1.90 O ATOM 1173 CB ASP A 78 -9.802 -9.985 5.323 1.00 1.78 C ATOM 1174 CG ASP A 78 -9.423 -11.424 4.968 1.00 1.85 C ATOM 1175 OD1 ASP A 78 -9.021 -12.152 5.902 1.00 2.33 O ATOM 1176 OD2 ASP A 78 -9.542 -11.765 3.772 1.00 2.60 O ATOM 0 H ASP A 78 -11.161 -7.907 5.211 1.00 1.53 H new ATOM 0 HA ASP A 78 -11.860 -10.536 5.630 1.00 1.70 H new ATOM 0 HB2 ASP A 78 -9.829 -9.396 4.406 1.00 1.78 H new ATOM 0 HB3 ASP A 78 -9.017 -9.563 5.950 1.00 1.78 H new ATOM 1181 N THR A 79 -10.055 -9.266 8.121 1.00 1.64 N ATOM 1182 CA THR A 79 -9.739 -9.396 9.533 1.00 1.72 C ATOM 1183 C THR A 79 -11.002 -9.232 10.380 1.00 1.75 C ATOM 1184 O THR A 79 -11.200 -9.959 11.353 1.00 2.01 O ATOM 1185 CB THR A 79 -8.646 -8.379 9.869 1.00 1.62 C ATOM 1186 OG1 THR A 79 -9.289 -7.117 9.721 1.00 3.15 O ATOM 1187 CG2 THR A 79 -7.529 -8.353 8.822 1.00 2.51 C ATOM 0 H THR A 79 -9.571 -8.505 7.644 1.00 1.64 H new ATOM 0 HA THR A 79 -9.359 -10.391 9.763 1.00 1.72 H new ATOM 0 HB THR A 79 -8.223 -8.611 10.846 1.00 1.62 H new ATOM 0 HG1 THR A 79 -9.427 -6.930 8.769 1.00 3.15 H new ATOM 0 HG21 THR A 79 -6.779 -7.615 9.108 1.00 2.51 H new ATOM 0 HG22 THR A 79 -7.065 -9.337 8.761 1.00 2.51 H new ATOM 0 HG23 THR A 79 -7.947 -8.088 7.851 1.00 2.51 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 6.790 6.001 -5.102 1.00 1.08 CA HETATM 1197 CA CA A 81 0.087 -2.286 -10.050 1.00 0.44 CA