USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 10 GLN : amide:sc= -6.79! C(o=-6.8!,f=-9.9!) USER MOD Set 1.2: A 84 HIS :FLIP no HD1:sc= -0.0102 F(o=-7.5,f=-6.8) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.15 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 9 SER OG : rot -14:sc= 0.357 USER MOD Single : A 16 THR OG1 : rot 160:sc= -0.146 USER MOD Single : A 22 SER OG : rot 180:sc= 0.453 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 71:sc= 0.793 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0943 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.166 K(o=-0.17,f=-2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.5) USER MOD Single : A 64 SER OG : rot 42:sc= 0.503 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 0.289 (180deg=-0.0279) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.773 F(o=-2,f=-0.77) USER MOD Single : A 89 ASN : amide:sc= -1.18! C(o=-1.2!,f=-1.2!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.720 -18.599 -1.697 1.00 0.00 N ATOM 2 CA MET A 1 10.828 -17.533 -0.667 1.00 0.00 C ATOM 3 C MET A 1 11.324 -16.226 -1.278 1.00 0.00 C ATOM 4 O MET A 1 12.521 -15.937 -1.264 1.00 0.00 O ATOM 5 CB MET A 1 11.788 -18.011 0.424 1.00 0.00 C ATOM 6 CG MET A 1 12.109 -16.950 1.464 1.00 0.00 C ATOM 7 SD MET A 1 11.594 -17.428 3.125 1.00 0.00 S ATOM 8 CE MET A 1 9.871 -17.828 2.843 1.00 0.00 C ATOM 0 H1 MET A 1 10.381 -19.477 -1.254 1.00 0.00 H new ATOM 0 H2 MET A 1 10.050 -18.302 -2.435 1.00 0.00 H new ATOM 0 H3 MET A 1 11.654 -18.765 -2.124 1.00 0.00 H new ATOM 0 HA MET A 1 9.843 -17.339 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.354 -18.877 0.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.716 -18.343 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.182 -16.757 1.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.617 -16.017 1.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.304 -17.658 3.758 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.476 -17.195 2.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.783 -18.875 2.551 1.00 0.00 H new ATOM 18 N LEU A 2 10.395 -15.442 -1.817 1.00 0.00 N ATOM 19 CA LEU A 2 10.732 -14.168 -2.438 1.00 0.00 C ATOM 20 C LEU A 2 9.766 -13.074 -1.999 1.00 0.00 C ATOM 21 O LEU A 2 8.552 -13.203 -2.160 1.00 0.00 O ATOM 22 CB LEU A 2 10.708 -14.301 -3.963 1.00 0.00 C ATOM 23 CG LEU A 2 10.443 -15.713 -4.486 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.001 -16.120 -4.219 1.00 0.00 C ATOM 25 CD2 LEU A 2 10.755 -15.797 -5.973 1.00 0.00 C ATOM 0 H LEU A 2 9.401 -15.669 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 2 11.736 -13.890 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.942 -13.634 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.664 -13.958 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 2 11.098 -16.405 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.831 -17.128 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.810 -16.099 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.328 -15.425 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.561 -16.809 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.125 -15.094 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.803 -15.549 -6.139 1.00 0.00 H new ATOM 37 N THR A 3 10.312 -11.996 -1.448 1.00 0.00 N ATOM 38 CA THR A 3 9.498 -10.878 -0.988 1.00 0.00 C ATOM 39 C THR A 3 8.819 -10.178 -2.161 1.00 0.00 C ATOM 40 O THR A 3 9.436 -9.946 -3.200 1.00 0.00 O ATOM 41 CB THR A 3 10.341 -9.850 -0.212 1.00 0.00 C ATOM 42 OG1 THR A 3 11.589 -10.415 0.215 1.00 0.00 O ATOM 43 CG2 THR A 3 9.592 -9.348 1.014 1.00 0.00 C ATOM 0 H THR A 3 11.315 -11.873 -1.309 1.00 0.00 H new ATOM 0 HA THR A 3 8.740 -11.290 -0.322 1.00 0.00 H new ATOM 0 HB THR A 3 10.534 -9.020 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.104 -9.739 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.208 -8.623 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.661 -8.874 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.369 -10.187 1.673 1.00 0.00 H new ATOM 51 N PRO A 4 7.534 -9.832 -2.005 1.00 0.00 N ATOM 52 CA PRO A 4 6.763 -9.154 -3.053 1.00 0.00 C ATOM 53 C PRO A 4 7.455 -7.887 -3.544 1.00 0.00 C ATOM 54 O PRO A 4 7.966 -7.099 -2.749 1.00 0.00 O ATOM 55 CB PRO A 4 5.443 -8.810 -2.358 1.00 0.00 C ATOM 56 CG PRO A 4 5.325 -9.806 -1.256 1.00 0.00 C ATOM 57 CD PRO A 4 6.730 -10.074 -0.795 1.00 0.00 C ATOM 0 HA PRO A 4 6.640 -9.776 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.453 -7.791 -1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.602 -8.881 -3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.714 -9.418 -0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.847 -10.721 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.020 -9.411 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.847 -11.095 -0.432 1.00 0.00 H new ATOM 65 N ALA A 5 7.470 -7.698 -4.860 1.00 0.00 N ATOM 66 CA ALA A 5 8.101 -6.525 -5.455 1.00 0.00 C ATOM 67 C ALA A 5 7.136 -5.346 -5.494 1.00 0.00 C ATOM 68 O ALA A 5 6.748 -4.883 -6.566 1.00 0.00 O ATOM 69 CB ALA A 5 8.613 -6.831 -6.855 1.00 0.00 C ATOM 0 H ALA A 5 7.053 -8.341 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 5 8.951 -6.255 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.079 -5.939 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.347 -7.635 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.780 -7.138 -7.488 1.00 0.00 H new ATOM 75 N PHE A 6 6.753 -4.864 -4.317 1.00 0.00 N ATOM 76 CA PHE A 6 5.836 -3.741 -4.212 1.00 0.00 C ATOM 77 C PHE A 6 6.565 -2.417 -4.421 1.00 0.00 C ATOM 78 O PHE A 6 7.783 -2.335 -4.266 1.00 0.00 O ATOM 79 CB PHE A 6 5.160 -3.749 -2.843 1.00 0.00 C ATOM 80 CG PHE A 6 6.078 -3.361 -1.720 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.478 -2.044 -1.558 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.544 -4.314 -0.828 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.326 -1.685 -0.526 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.391 -3.961 0.205 1.00 0.00 C ATOM 85 CZ PHE A 6 7.782 -2.645 0.356 1.00 0.00 C ATOM 0 H PHE A 6 7.066 -5.237 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 6 5.081 -3.843 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.312 -3.065 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.762 -4.745 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 6 6.124 -1.290 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.242 -5.345 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.631 -0.656 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.747 -4.713 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.444 -2.367 1.163 1.00 0.00 H new ATOM 95 N ASP A 7 5.807 -1.383 -4.767 1.00 0.00 N ATOM 96 CA ASP A 7 6.372 -0.059 -4.990 1.00 0.00 C ATOM 97 C ASP A 7 5.389 1.018 -4.533 1.00 0.00 C ATOM 98 O ASP A 7 4.176 0.808 -4.555 1.00 0.00 O ATOM 99 CB ASP A 7 6.736 0.126 -6.470 1.00 0.00 C ATOM 100 CG ASP A 7 5.638 0.795 -7.277 1.00 0.00 C ATOM 101 OD1 ASP A 7 5.544 2.040 -7.233 1.00 0.00 O ATOM 102 OD2 ASP A 7 4.875 0.075 -7.955 1.00 0.00 O ATOM 0 H ASP A 7 4.797 -1.437 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 7 7.285 0.037 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.646 0.722 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.958 -0.847 -6.907 1.00 0.00 H new ATOM 107 N LEU A 8 5.914 2.162 -4.105 1.00 0.00 N ATOM 108 CA LEU A 8 5.068 3.251 -3.632 1.00 0.00 C ATOM 109 C LEU A 8 5.165 4.475 -4.535 1.00 0.00 C ATOM 110 O LEU A 8 6.257 4.914 -4.897 1.00 0.00 O ATOM 111 CB LEU A 8 5.448 3.637 -2.202 1.00 0.00 C ATOM 112 CG LEU A 8 6.096 2.523 -1.380 1.00 0.00 C ATOM 113 CD1 LEU A 8 7.036 3.110 -0.337 1.00 0.00 C ATOM 114 CD2 LEU A 8 5.029 1.664 -0.716 1.00 0.00 C ATOM 0 H LEU A 8 6.915 2.358 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 8 4.038 2.895 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.133 4.484 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.551 3.976 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 8 6.678 1.891 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.489 2.303 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.818 3.684 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.475 3.763 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.507 0.875 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.421 2.284 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.394 1.217 -1.481 1.00 0.00 H new ATOM 126 N SER A 9 4.009 5.033 -4.874 1.00 0.00 N ATOM 127 CA SER A 9 3.938 6.222 -5.713 1.00 0.00 C ATOM 128 C SER A 9 2.863 7.158 -5.183 1.00 0.00 C ATOM 129 O SER A 9 1.751 6.728 -4.881 1.00 0.00 O ATOM 130 CB SER A 9 3.646 5.843 -7.167 1.00 0.00 C ATOM 131 OG SER A 9 2.335 5.323 -7.309 1.00 0.00 O ATOM 0 H SER A 9 3.100 4.677 -4.577 1.00 0.00 H new ATOM 0 HA SER A 9 4.902 6.731 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.763 6.719 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.372 5.103 -7.505 1.00 0.00 H new ATOM 0 HG SER A 9 1.973 5.102 -6.425 1.00 0.00 H new ATOM 137 N GLN A 10 3.204 8.435 -5.037 1.00 0.00 N ATOM 138 CA GLN A 10 2.261 9.406 -4.504 1.00 0.00 C ATOM 139 C GLN A 10 2.169 10.660 -5.369 1.00 0.00 C ATOM 140 O GLN A 10 3.170 11.160 -5.879 1.00 0.00 O ATOM 141 CB GLN A 10 2.664 9.784 -3.078 1.00 0.00 C ATOM 142 CG GLN A 10 3.766 10.830 -3.005 1.00 0.00 C ATOM 143 CD GLN A 10 5.147 10.240 -3.214 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.373 9.055 -2.968 1.00 0.00 O ATOM 145 NE2 GLN A 10 6.080 11.067 -3.670 1.00 0.00 N ATOM 0 H GLN A 10 4.119 8.817 -5.279 1.00 0.00 H new ATOM 0 HA GLN A 10 1.275 8.941 -4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.787 10.158 -2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.993 8.887 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.585 11.596 -3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.729 11.323 -2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.848 12.042 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.028 10.727 -3.830 1.00 0.00 H new ATOM 154 N ASP A 11 0.947 11.162 -5.503 1.00 0.00 N ATOM 155 CA ASP A 11 0.667 12.365 -6.276 1.00 0.00 C ATOM 156 C ASP A 11 0.223 13.493 -5.345 1.00 0.00 C ATOM 157 O ASP A 11 -0.180 13.247 -4.208 1.00 0.00 O ATOM 158 CB ASP A 11 -0.417 12.086 -7.320 1.00 0.00 C ATOM 159 CG ASP A 11 0.130 12.069 -8.733 1.00 0.00 C ATOM 160 OD1 ASP A 11 1.367 11.987 -8.892 1.00 0.00 O ATOM 161 OD2 ASP A 11 -0.678 12.138 -9.683 1.00 0.00 O ATOM 0 H ASP A 11 0.120 10.744 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 11 1.577 12.670 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.887 11.126 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.195 12.846 -7.244 1.00 0.00 H new ATOM 166 N PRO A 12 0.304 14.748 -5.811 1.00 0.00 N ATOM 167 CA PRO A 12 -0.079 15.928 -5.016 1.00 0.00 C ATOM 168 C PRO A 12 -1.550 15.949 -4.593 1.00 0.00 C ATOM 169 O PRO A 12 -1.981 16.869 -3.898 1.00 0.00 O ATOM 170 CB PRO A 12 0.209 17.105 -5.954 1.00 0.00 C ATOM 171 CG PRO A 12 0.248 16.513 -7.321 1.00 0.00 C ATOM 172 CD PRO A 12 0.783 15.122 -7.149 1.00 0.00 C ATOM 0 HA PRO A 12 0.472 15.948 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.565 17.869 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.156 17.585 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.746 16.497 -7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.886 17.098 -7.983 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.405 14.446 -7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.871 15.097 -7.210 1.00 0.00 H new ATOM 180 N ASP A 13 -2.322 14.943 -4.994 1.00 0.00 N ATOM 181 CA ASP A 13 -3.736 14.877 -4.625 1.00 0.00 C ATOM 182 C ASP A 13 -4.137 13.476 -4.171 1.00 0.00 C ATOM 183 O ASP A 13 -5.301 13.240 -3.852 1.00 0.00 O ATOM 184 CB ASP A 13 -4.613 15.288 -5.805 1.00 0.00 C ATOM 185 CG ASP A 13 -4.186 16.608 -6.415 1.00 0.00 C ATOM 186 OD1 ASP A 13 -2.966 16.817 -6.585 1.00 0.00 O ATOM 187 OD2 ASP A 13 -5.071 17.434 -6.723 1.00 0.00 O ATOM 0 H ASP A 13 -1.997 14.167 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.884 15.566 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.577 14.511 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.649 15.363 -5.475 1.00 0.00 H new ATOM 192 N PHE A 14 -3.168 12.565 -4.128 1.00 0.00 N ATOM 193 CA PHE A 14 -3.422 11.187 -3.707 1.00 0.00 C ATOM 194 C PHE A 14 -2.123 10.406 -3.553 1.00 0.00 C ATOM 195 O PHE A 14 -1.053 10.875 -3.920 1.00 0.00 O ATOM 196 CB PHE A 14 -4.291 10.439 -4.733 1.00 0.00 C ATOM 197 CG PHE A 14 -5.518 11.170 -5.192 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.449 12.094 -6.221 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.744 10.925 -4.596 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.581 12.763 -6.647 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.880 11.590 -5.017 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.798 12.511 -6.044 1.00 0.00 C ATOM 0 H PHE A 14 -2.198 12.755 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.940 11.251 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.678 10.210 -5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.597 9.487 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.500 12.294 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.813 10.206 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.514 13.482 -7.450 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.830 11.390 -4.544 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.684 13.033 -6.375 1.00 0.00 H new ATOM 212 N LEU A 15 -2.247 9.195 -3.026 1.00 0.00 N ATOM 213 CA LEU A 15 -1.112 8.299 -2.842 1.00 0.00 C ATOM 214 C LEU A 15 -1.512 6.903 -3.290 1.00 0.00 C ATOM 215 O LEU A 15 -2.429 6.308 -2.723 1.00 0.00 O ATOM 216 CB LEU A 15 -0.666 8.268 -1.379 1.00 0.00 C ATOM 217 CG LEU A 15 0.401 7.221 -1.047 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.248 5.895 -0.686 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.362 7.044 -2.216 1.00 0.00 C ATOM 0 H LEU A 15 -3.137 8.806 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.275 8.661 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.282 9.253 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.539 8.085 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 15 0.970 7.573 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.525 5.163 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.893 6.030 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.842 5.540 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.112 6.296 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.808 6.716 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.854 7.993 -2.430 1.00 0.00 H new ATOM 231 N THR A 16 -0.849 6.378 -4.313 1.00 0.00 N ATOM 232 CA THR A 16 -1.179 5.056 -4.821 1.00 0.00 C ATOM 233 C THR A 16 -0.076 4.053 -4.516 1.00 0.00 C ATOM 234 O THR A 16 1.109 4.345 -4.673 1.00 0.00 O ATOM 235 CB THR A 16 -1.412 5.093 -6.342 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.206 6.225 -6.720 1.00 0.00 O ATOM 237 CG2 THR A 16 -2.114 3.832 -6.816 1.00 0.00 C ATOM 0 H THR A 16 -0.086 6.845 -4.803 1.00 0.00 H new ATOM 0 HA THR A 16 -2.095 4.743 -4.319 1.00 0.00 H new ATOM 0 HB THR A 16 -0.430 5.166 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.077 6.411 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.267 3.884 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.501 2.963 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.079 3.743 -6.317 1.00 0.00 H new ATOM 245 N ILE A 17 -0.480 2.867 -4.087 1.00 0.00 N ATOM 246 CA ILE A 17 0.462 1.808 -3.766 1.00 0.00 C ATOM 247 C ILE A 17 0.311 0.652 -4.749 1.00 0.00 C ATOM 248 O ILE A 17 -0.773 0.427 -5.287 1.00 0.00 O ATOM 249 CB ILE A 17 0.251 1.308 -2.325 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.109 2.488 -1.416 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.498 0.598 -1.819 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.237 2.116 0.044 1.00 0.00 C ATOM 0 H ILE A 17 -1.459 2.614 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 17 1.471 2.212 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.571 0.592 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.653 3.260 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.050 2.922 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.331 0.251 -0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.717 -0.255 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.341 1.289 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.493 3.002 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.020 1.367 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.710 1.710 0.400 1.00 0.00 H new ATOM 264 N ALA A 18 1.398 -0.073 -4.993 1.00 0.00 N ATOM 265 CA ALA A 18 1.365 -1.193 -5.927 1.00 0.00 C ATOM 266 C ALA A 18 1.994 -2.442 -5.325 1.00 0.00 C ATOM 267 O ALA A 18 3.214 -2.531 -5.186 1.00 0.00 O ATOM 268 CB ALA A 18 2.060 -0.830 -7.232 1.00 0.00 C ATOM 0 H ALA A 18 2.307 0.093 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 18 0.318 -1.411 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.023 -1.680 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.556 0.022 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.100 -0.571 -7.031 1.00 0.00 H new ATOM 274 N ILE A 19 1.152 -3.408 -4.974 1.00 0.00 N ATOM 275 CA ILE A 19 1.621 -4.657 -4.389 1.00 0.00 C ATOM 276 C ILE A 19 1.477 -5.814 -5.373 1.00 0.00 C ATOM 277 O ILE A 19 0.377 -6.107 -5.842 1.00 0.00 O ATOM 278 CB ILE A 19 0.837 -5.003 -3.110 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.745 -3.782 -2.192 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.492 -6.171 -2.390 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.215 -3.966 -1.035 1.00 0.00 C ATOM 0 H ILE A 19 0.140 -3.349 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 19 2.673 -4.514 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.175 -5.296 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.737 -3.558 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.432 -2.919 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.927 -6.405 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.505 -7.042 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.514 -5.905 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.229 -3.062 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.216 -4.160 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.108 -4.809 -0.424 1.00 0.00 H new ATOM 293 N ARG A 20 2.589 -6.475 -5.679 1.00 0.00 N ATOM 294 CA ARG A 20 2.570 -7.602 -6.602 1.00 0.00 C ATOM 295 C ARG A 20 2.331 -8.906 -5.848 1.00 0.00 C ATOM 296 O ARG A 20 3.109 -9.278 -4.969 1.00 0.00 O ATOM 297 CB ARG A 20 3.887 -7.685 -7.376 1.00 0.00 C ATOM 298 CG ARG A 20 4.074 -6.573 -8.395 1.00 0.00 C ATOM 299 CD ARG A 20 5.546 -6.259 -8.606 1.00 0.00 C ATOM 300 NE ARG A 20 5.990 -6.598 -9.954 1.00 0.00 N ATOM 301 CZ ARG A 20 6.381 -7.815 -10.317 1.00 0.00 C ATOM 302 NH1 ARG A 20 6.394 -8.802 -9.430 1.00 0.00 N ATOM 303 NH2 ARG A 20 6.762 -8.046 -11.565 1.00 0.00 N ATOM 0 H ARG A 20 3.510 -6.250 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 20 1.755 -7.448 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.715 -7.659 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.936 -8.646 -7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.623 -6.866 -9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.553 -5.677 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.720 -5.199 -8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.142 -6.810 -7.879 1.00 0.00 H new ATOM 0 HE ARG A 20 6.001 -5.859 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.104 -8.627 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.694 -9.736 -9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.755 -7.289 -12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.062 -8.981 -11.842 1.00 0.00 H new ATOM 317 N VAL A 21 1.250 -9.592 -6.198 1.00 0.00 N ATOM 318 CA VAL A 21 0.903 -10.854 -5.555 1.00 0.00 C ATOM 319 C VAL A 21 0.293 -11.825 -6.558 1.00 0.00 C ATOM 320 O VAL A 21 -0.599 -11.462 -7.323 1.00 0.00 O ATOM 321 CB VAL A 21 -0.088 -10.640 -4.396 1.00 0.00 C ATOM 322 CG1 VAL A 21 0.473 -9.647 -3.393 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.437 -10.172 -4.925 1.00 0.00 C ATOM 0 H VAL A 21 0.598 -9.296 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 21 1.827 -11.275 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.235 -11.592 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.240 -9.508 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.412 -10.028 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.651 -8.692 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.124 -10.026 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.311 -9.231 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.843 -10.923 -5.602 1.00 0.00 H new ATOM 333 N SER A 22 0.783 -13.061 -6.553 1.00 0.00 N ATOM 334 CA SER A 22 0.286 -14.080 -7.469 1.00 0.00 C ATOM 335 C SER A 22 -0.497 -15.159 -6.728 1.00 0.00 C ATOM 336 O SER A 22 -1.728 -15.129 -6.680 1.00 0.00 O ATOM 337 CB SER A 22 1.448 -14.717 -8.233 1.00 0.00 C ATOM 338 OG SER A 22 2.454 -15.173 -7.345 1.00 0.00 O ATOM 0 H SER A 22 1.522 -13.380 -5.926 1.00 0.00 H new ATOM 0 HA SER A 22 -0.388 -13.593 -8.174 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.080 -15.551 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.873 -13.991 -8.927 1.00 0.00 H new ATOM 0 HG SER A 22 3.184 -15.577 -7.858 1.00 0.00 H new ATOM 344 N TYR A 23 0.226 -16.120 -6.164 1.00 0.00 N ATOM 345 CA TYR A 23 -0.392 -17.222 -5.435 1.00 0.00 C ATOM 346 C TYR A 23 -1.584 -16.754 -4.605 1.00 0.00 C ATOM 347 O TYR A 23 -2.675 -17.313 -4.708 1.00 0.00 O ATOM 348 CB TYR A 23 0.637 -17.900 -4.532 1.00 0.00 C ATOM 349 CG TYR A 23 1.491 -18.920 -5.251 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.997 -18.658 -6.518 1.00 0.00 C ATOM 351 CD2 TYR A 23 1.787 -20.144 -4.666 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.775 -19.586 -7.182 1.00 0.00 C ATOM 353 CE2 TYR A 23 2.566 -21.079 -5.323 1.00 0.00 C ATOM 354 CZ TYR A 23 3.057 -20.794 -6.580 1.00 0.00 C ATOM 355 OH TYR A 23 3.833 -21.721 -7.238 1.00 0.00 O ATOM 0 H TYR A 23 1.245 -16.158 -6.198 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.758 -17.938 -6.171 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.284 -17.139 -4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.119 -18.389 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.778 -17.712 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.403 -20.369 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.160 -19.367 -8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.788 -22.026 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 23 3.938 -22.517 -6.677 1.00 0.00 H new ATOM 365 N ALA A 24 -1.372 -15.733 -3.781 1.00 0.00 N ATOM 366 CA ALA A 24 -2.437 -15.206 -2.935 1.00 0.00 C ATOM 367 C ALA A 24 -3.262 -16.340 -2.334 1.00 0.00 C ATOM 368 O ALA A 24 -4.163 -16.876 -2.978 1.00 0.00 O ATOM 369 CB ALA A 24 -3.331 -14.252 -3.713 1.00 0.00 C ATOM 0 H ALA A 24 -0.476 -15.256 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.972 -14.649 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.116 -13.874 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.736 -13.418 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.782 -14.780 -4.553 1.00 0.00 H new ATOM 375 N ARG A 25 -2.945 -16.699 -1.095 1.00 0.00 N ATOM 376 CA ARG A 25 -3.650 -17.773 -0.406 1.00 0.00 C ATOM 377 C ARG A 25 -5.135 -17.457 -0.266 1.00 0.00 C ATOM 378 O ARG A 25 -5.968 -18.040 -0.960 1.00 0.00 O ATOM 379 CB ARG A 25 -3.026 -18.022 0.966 1.00 0.00 C ATOM 380 CG ARG A 25 -2.479 -19.430 1.127 1.00 0.00 C ATOM 381 CD ARG A 25 -0.966 -19.434 1.279 1.00 0.00 C ATOM 382 NE ARG A 25 -0.382 -20.707 0.862 1.00 0.00 N ATOM 383 CZ ARG A 25 0.850 -20.832 0.376 1.00 0.00 C ATOM 384 NH1 ARG A 25 1.628 -19.767 0.250 1.00 0.00 N ATOM 385 NH2 ARG A 25 1.305 -22.024 0.015 1.00 0.00 N ATOM 0 H ARG A 25 -2.204 -16.262 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.555 -18.678 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.221 -17.305 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.774 -17.839 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.933 -19.899 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.759 -20.030 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.539 -18.626 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.705 -19.237 2.319 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.952 -21.548 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.283 -18.848 0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.572 -19.866 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.710 -22.847 0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.250 -22.118 -0.357 1.00 0.00 H new ATOM 399 N VAL A 26 -5.466 -16.535 0.632 1.00 0.00 N ATOM 400 CA VAL A 26 -6.856 -16.153 0.848 1.00 0.00 C ATOM 401 C VAL A 26 -7.451 -15.534 -0.412 1.00 0.00 C ATOM 402 O VAL A 26 -6.773 -14.804 -1.136 1.00 0.00 O ATOM 403 CB VAL A 26 -6.992 -15.159 2.017 1.00 0.00 C ATOM 404 CG1 VAL A 26 -6.585 -15.819 3.325 1.00 0.00 C ATOM 405 CG2 VAL A 26 -6.159 -13.913 1.758 1.00 0.00 C ATOM 0 H VAL A 26 -4.794 -16.041 1.219 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.403 -17.062 1.097 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.037 -14.858 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.687 -15.103 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.228 -16.679 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.548 -16.149 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.268 -13.222 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.111 -14.192 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.501 -13.431 0.842 1.00 0.00 H new ATOM 415 N SER A 27 -8.719 -15.833 -0.674 1.00 0.00 N ATOM 416 CA SER A 27 -9.399 -15.308 -1.853 1.00 0.00 C ATOM 417 C SER A 27 -9.406 -13.784 -1.847 1.00 0.00 C ATOM 418 O SER A 27 -9.260 -13.149 -2.891 1.00 0.00 O ATOM 419 CB SER A 27 -10.834 -15.836 -1.918 1.00 0.00 C ATOM 420 OG SER A 27 -10.922 -16.970 -2.764 1.00 0.00 O ATOM 0 H SER A 27 -9.296 -16.435 -0.087 1.00 0.00 H new ATOM 0 HA SER A 27 -8.854 -15.646 -2.734 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.174 -16.098 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.497 -15.052 -2.285 1.00 0.00 H new ATOM 0 HG SER A 27 -11.848 -17.290 -2.787 1.00 0.00 H new ATOM 426 N GLU A 28 -9.578 -13.204 -0.666 1.00 0.00 N ATOM 427 CA GLU A 28 -9.605 -11.753 -0.526 1.00 0.00 C ATOM 428 C GLU A 28 -8.461 -11.267 0.357 1.00 0.00 C ATOM 429 O GLU A 28 -8.128 -11.897 1.361 1.00 0.00 O ATOM 430 CB GLU A 28 -10.944 -11.306 0.065 1.00 0.00 C ATOM 431 CG GLU A 28 -11.210 -9.817 -0.089 1.00 0.00 C ATOM 432 CD GLU A 28 -12.655 -9.514 -0.433 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.102 -9.919 -1.527 1.00 0.00 O ATOM 434 OE2 GLU A 28 -13.340 -8.871 0.390 1.00 0.00 O ATOM 0 H GLU A 28 -9.701 -13.715 0.208 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.484 -11.315 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.748 -11.862 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.968 -11.563 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.947 -9.307 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.563 -9.415 -0.869 1.00 0.00 H new ATOM 441 N PHE A 29 -7.865 -10.140 -0.018 1.00 0.00 N ATOM 442 CA PHE A 29 -6.764 -9.570 0.748 1.00 0.00 C ATOM 443 C PHE A 29 -7.291 -8.619 1.818 1.00 0.00 C ATOM 444 O PHE A 29 -8.457 -8.222 1.790 1.00 0.00 O ATOM 445 CB PHE A 29 -5.792 -8.824 -0.172 1.00 0.00 C ATOM 446 CG PHE A 29 -5.540 -9.515 -1.482 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.703 -10.885 -1.604 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.137 -8.790 -2.593 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.468 -11.520 -2.810 1.00 0.00 C ATOM 450 CE2 PHE A 29 -4.901 -9.418 -3.800 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.067 -10.784 -3.910 1.00 0.00 C ATOM 0 H PHE A 29 -8.126 -9.605 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.232 -10.389 1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.186 -7.827 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.843 -8.695 0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.017 -11.464 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.006 -7.721 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.597 -12.589 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.587 -8.841 -4.657 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.884 -11.277 -4.853 1.00 0.00 H new ATOM 461 N ASP A 30 -6.426 -8.254 2.757 1.00 0.00 N ATOM 462 CA ASP A 30 -6.805 -7.347 3.833 1.00 0.00 C ATOM 463 C ASP A 30 -5.985 -6.064 3.768 1.00 0.00 C ATOM 464 O ASP A 30 -4.759 -6.091 3.881 1.00 0.00 O ATOM 465 CB ASP A 30 -6.610 -8.024 5.190 1.00 0.00 C ATOM 466 CG ASP A 30 -7.927 -8.327 5.878 1.00 0.00 C ATOM 467 OD1 ASP A 30 -8.557 -7.382 6.396 1.00 0.00 O ATOM 468 OD2 ASP A 30 -8.328 -9.511 5.898 1.00 0.00 O ATOM 0 H ASP A 30 -5.458 -8.572 2.795 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.858 -7.093 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.052 -8.951 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.008 -7.380 5.831 1.00 0.00 H new ATOM 473 N VAL A 31 -6.669 -4.941 3.585 1.00 0.00 N ATOM 474 CA VAL A 31 -6.007 -3.646 3.504 1.00 0.00 C ATOM 475 C VAL A 31 -6.532 -2.702 4.579 1.00 0.00 C ATOM 476 O VAL A 31 -7.722 -2.392 4.619 1.00 0.00 O ATOM 477 CB VAL A 31 -6.201 -3.002 2.120 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.249 -1.830 1.937 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.005 -4.033 1.018 1.00 0.00 C ATOM 0 H VAL A 31 -7.684 -4.902 3.490 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.942 -3.817 3.663 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.222 -2.625 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.401 -1.388 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.442 -1.081 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.220 -2.180 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.146 -3.559 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.997 -4.443 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.731 -4.837 1.138 1.00 0.00 H new ATOM 489 N TYR A 32 -5.636 -2.249 5.446 1.00 0.00 N ATOM 490 CA TYR A 32 -6.013 -1.342 6.522 1.00 0.00 C ATOM 491 C TYR A 32 -5.292 -0.007 6.393 1.00 0.00 C ATOM 492 O TYR A 32 -4.063 0.058 6.436 1.00 0.00 O ATOM 493 CB TYR A 32 -5.706 -1.977 7.877 1.00 0.00 C ATOM 494 CG TYR A 32 -6.415 -3.294 8.094 1.00 0.00 C ATOM 495 CD1 TYR A 32 -7.797 -3.347 8.223 1.00 0.00 C ATOM 496 CD2 TYR A 32 -5.703 -4.483 8.168 1.00 0.00 C ATOM 497 CE1 TYR A 32 -8.449 -4.549 8.418 1.00 0.00 C ATOM 498 CE2 TYR A 32 -6.347 -5.689 8.362 1.00 0.00 C ATOM 499 CZ TYR A 32 -7.720 -5.717 8.487 1.00 0.00 C ATOM 500 OH TYR A 32 -8.366 -6.916 8.681 1.00 0.00 O ATOM 0 H TYR A 32 -4.646 -2.494 5.426 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.085 -1.157 6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.631 -2.133 7.962 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.991 -1.284 8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.371 -2.434 8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.627 -4.465 8.072 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.524 -4.574 8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.778 -6.606 8.416 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.866 -7.153 7.872 1.00 0.00 H new ATOM 510 N PHE A 33 -6.068 1.060 6.236 1.00 0.00 N ATOM 511 CA PHE A 33 -5.514 2.399 6.103 1.00 0.00 C ATOM 512 C PHE A 33 -6.056 3.311 7.198 1.00 0.00 C ATOM 513 O PHE A 33 -7.246 3.625 7.225 1.00 0.00 O ATOM 514 CB PHE A 33 -5.846 2.974 4.725 1.00 0.00 C ATOM 515 CG PHE A 33 -7.278 3.410 4.587 1.00 0.00 C ATOM 516 CD1 PHE A 33 -8.261 2.496 4.241 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.641 4.730 4.802 1.00 0.00 C ATOM 518 CE1 PHE A 33 -9.579 2.891 4.114 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.958 5.131 4.675 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.928 4.209 4.331 1.00 0.00 C ATOM 0 H PHE A 33 -7.087 1.021 6.198 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.431 2.338 6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.195 3.826 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.628 2.224 3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.994 1.464 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.886 5.454 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.336 2.169 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.228 6.163 4.844 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.958 4.519 4.232 1.00 0.00 H new ATOM 530 N GLU A 34 -5.178 3.729 8.102 1.00 0.00 N ATOM 531 CA GLU A 34 -5.572 4.600 9.204 1.00 0.00 C ATOM 532 C GLU A 34 -4.571 5.731 9.393 1.00 0.00 C ATOM 533 O GLU A 34 -3.404 5.493 9.706 1.00 0.00 O ATOM 534 CB GLU A 34 -5.695 3.792 10.497 1.00 0.00 C ATOM 535 CG GLU A 34 -7.109 3.319 10.785 1.00 0.00 C ATOM 536 CD GLU A 34 -7.384 3.177 12.268 1.00 0.00 C ATOM 537 OE1 GLU A 34 -7.532 4.216 12.948 1.00 0.00 O ATOM 538 OE2 GLU A 34 -7.452 2.028 12.752 1.00 0.00 O ATOM 0 H GLU A 34 -4.189 3.479 8.094 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.540 5.037 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.036 2.926 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.348 4.402 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.819 4.024 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.274 2.360 10.295 1.00 0.00 H new ATOM 545 N GLY A 35 -5.030 6.962 9.199 1.00 0.00 N ATOM 546 CA GLY A 35 -4.155 8.108 9.351 1.00 0.00 C ATOM 547 C GLY A 35 -2.982 8.061 8.395 1.00 0.00 C ATOM 548 O GLY A 35 -2.961 8.773 7.393 1.00 0.00 O ATOM 0 H GLY A 35 -5.991 7.186 8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.724 9.022 9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.785 8.148 10.376 1.00 0.00 H new ATOM 552 N SER A 36 -2.009 7.211 8.702 1.00 0.00 N ATOM 553 CA SER A 36 -0.823 7.056 7.867 1.00 0.00 C ATOM 554 C SER A 36 -0.290 5.633 7.972 1.00 0.00 C ATOM 555 O SER A 36 0.902 5.384 7.780 1.00 0.00 O ATOM 556 CB SER A 36 0.260 8.049 8.290 1.00 0.00 C ATOM 557 OG SER A 36 -0.269 9.048 9.144 1.00 0.00 O ATOM 0 H SER A 36 -2.019 6.614 9.529 1.00 0.00 H new ATOM 0 HA SER A 36 -1.099 7.257 6.832 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.064 7.519 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.696 8.515 7.406 1.00 0.00 H new ATOM 0 HG SER A 36 0.444 9.669 9.401 1.00 0.00 H new ATOM 563 N ASP A 37 -1.188 4.706 8.287 1.00 0.00 N ATOM 564 CA ASP A 37 -0.824 3.303 8.436 1.00 0.00 C ATOM 565 C ASP A 37 -1.451 2.443 7.345 1.00 0.00 C ATOM 566 O ASP A 37 -2.654 2.181 7.361 1.00 0.00 O ATOM 567 CB ASP A 37 -1.264 2.788 9.807 1.00 0.00 C ATOM 568 CG ASP A 37 -0.124 2.755 10.805 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.754 1.876 10.674 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.107 3.610 11.716 1.00 0.00 O ATOM 0 H ASP A 37 -2.176 4.903 8.444 1.00 0.00 H new ATOM 0 HA ASP A 37 0.260 3.232 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.062 3.423 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.678 1.786 9.700 1.00 0.00 H new ATOM 575 N PHE A 38 -0.626 1.986 6.410 1.00 0.00 N ATOM 576 CA PHE A 38 -1.107 1.135 5.331 1.00 0.00 C ATOM 577 C PHE A 38 -0.679 -0.305 5.568 1.00 0.00 C ATOM 578 O PHE A 38 0.507 -0.630 5.506 1.00 0.00 O ATOM 579 CB PHE A 38 -0.582 1.616 3.979 1.00 0.00 C ATOM 580 CG PHE A 38 -1.005 0.732 2.841 1.00 0.00 C ATOM 581 CD1 PHE A 38 -0.265 -0.389 2.503 1.00 0.00 C ATOM 582 CD2 PHE A 38 -2.149 1.020 2.116 1.00 0.00 C ATOM 583 CE1 PHE A 38 -0.659 -1.208 1.461 1.00 0.00 C ATOM 584 CE2 PHE A 38 -2.549 0.206 1.075 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.803 -0.909 0.746 1.00 0.00 C ATOM 0 H PHE A 38 0.373 2.189 6.378 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.196 1.189 5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.938 2.630 3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.507 1.661 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.630 -0.626 3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.735 1.891 2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.074 -2.079 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.444 0.441 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.113 -1.546 -0.069 1.00 0.00 H new ATOM 595 N LYS A 39 -1.648 -1.163 5.852 1.00 0.00 N ATOM 596 CA LYS A 39 -1.367 -2.568 6.112 1.00 0.00 C ATOM 597 C LYS A 39 -2.040 -3.469 5.085 1.00 0.00 C ATOM 598 O LYS A 39 -3.229 -3.326 4.797 1.00 0.00 O ATOM 599 CB LYS A 39 -1.827 -2.943 7.520 1.00 0.00 C ATOM 600 CG LYS A 39 -1.574 -1.851 8.546 1.00 0.00 C ATOM 601 CD LYS A 39 -2.233 -2.172 9.878 1.00 0.00 C ATOM 602 CE LYS A 39 -1.238 -2.093 11.024 1.00 0.00 C ATOM 603 NZ LYS A 39 -1.269 -0.768 11.703 1.00 0.00 N ATOM 0 H LYS A 39 -2.635 -0.912 5.908 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.290 -2.715 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.893 -3.171 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.313 -3.852 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.501 -1.728 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.956 -0.902 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.052 -1.476 10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.667 -3.171 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.458 -2.877 11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.234 -2.282 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.575 -0.759 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.034 -0.021 11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.220 -0.597 12.088 1.00 0.00 H new ATOM 617 N PHE A 40 -1.266 -4.396 4.535 1.00 0.00 N ATOM 618 CA PHE A 40 -1.771 -5.328 3.538 1.00 0.00 C ATOM 619 C PHE A 40 -1.456 -6.764 3.939 1.00 0.00 C ATOM 620 O PHE A 40 -0.296 -7.176 3.928 1.00 0.00 O ATOM 621 CB PHE A 40 -1.143 -5.029 2.180 1.00 0.00 C ATOM 622 CG PHE A 40 -1.660 -5.900 1.073 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.996 -5.862 0.707 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.808 -6.757 0.396 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.472 -6.665 -0.312 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.278 -7.561 -0.625 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.611 -7.515 -0.980 1.00 0.00 C ATOM 0 H PHE A 40 -0.280 -4.522 4.765 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.853 -5.209 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.328 -3.985 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.063 -5.153 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.673 -5.198 1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.236 -6.797 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.516 -6.628 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.603 -8.225 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.980 -8.142 -1.778 1.00 0.00 H new ATOM 637 N TYR A 41 -2.484 -7.522 4.300 1.00 0.00 N ATOM 638 CA TYR A 41 -2.289 -8.906 4.708 1.00 0.00 C ATOM 639 C TYR A 41 -3.211 -9.852 3.944 1.00 0.00 C ATOM 640 O TYR A 41 -4.420 -9.639 3.875 1.00 0.00 O ATOM 641 CB TYR A 41 -2.540 -9.062 6.209 1.00 0.00 C ATOM 642 CG TYR A 41 -1.863 -8.012 7.060 1.00 0.00 C ATOM 643 CD1 TYR A 41 -0.483 -7.858 7.041 1.00 0.00 C ATOM 644 CD2 TYR A 41 -2.604 -7.178 7.887 1.00 0.00 C ATOM 645 CE1 TYR A 41 0.139 -6.903 7.821 1.00 0.00 C ATOM 646 CE2 TYR A 41 -1.990 -6.221 8.671 1.00 0.00 C ATOM 647 CZ TYR A 41 -0.618 -6.087 8.635 1.00 0.00 C ATOM 648 OH TYR A 41 -0.002 -5.138 9.415 1.00 0.00 O ATOM 0 H TYR A 41 -3.453 -7.205 4.318 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.256 -9.168 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.614 -9.026 6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.195 -10.047 6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.114 -8.496 6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.679 -7.279 7.918 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.213 -6.796 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.581 -5.581 9.309 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.678 -4.647 9.928 1.00 0.00 H new ATOM 658 N ALA A 42 -2.630 -10.915 3.398 1.00 0.00 N ATOM 659 CA ALA A 42 -3.394 -11.919 2.668 1.00 0.00 C ATOM 660 C ALA A 42 -3.414 -13.215 3.470 1.00 0.00 C ATOM 661 O ALA A 42 -4.447 -13.619 4.005 1.00 0.00 O ATOM 662 CB ALA A 42 -2.805 -12.157 1.284 1.00 0.00 C ATOM 0 H ALA A 42 -1.629 -11.103 3.448 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.414 -11.558 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.395 -12.911 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.821 -11.226 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.777 -12.505 1.381 1.00 0.00 H new ATOM 668 N LYS A 43 -2.248 -13.836 3.573 1.00 0.00 N ATOM 669 CA LYS A 43 -2.078 -15.065 4.334 1.00 0.00 C ATOM 670 C LYS A 43 -0.596 -15.239 4.657 1.00 0.00 C ATOM 671 O LYS A 43 -0.181 -15.034 5.798 1.00 0.00 O ATOM 672 CB LYS A 43 -2.645 -16.273 3.580 1.00 0.00 C ATOM 673 CG LYS A 43 -1.965 -17.591 3.921 1.00 0.00 C ATOM 674 CD LYS A 43 -2.422 -18.128 5.267 1.00 0.00 C ATOM 675 CE LYS A 43 -1.877 -19.524 5.518 1.00 0.00 C ATOM 676 NZ LYS A 43 -2.938 -20.462 5.982 1.00 0.00 N ATOM 0 H LYS A 43 -1.392 -13.501 3.131 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.639 -14.998 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.709 -16.358 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.553 -16.095 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.182 -18.324 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.884 -17.450 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.090 -17.458 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.511 -18.149 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.429 -19.908 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.084 -19.475 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.524 -21.403 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.349 -20.109 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.682 -20.529 5.259 1.00 0.00 H new ATOM 690 N PRO A 44 0.239 -15.577 3.656 1.00 0.00 N ATOM 691 CA PRO A 44 1.677 -15.722 3.852 1.00 0.00 C ATOM 692 C PRO A 44 2.390 -14.393 3.667 1.00 0.00 C ATOM 693 O PRO A 44 3.527 -14.210 4.103 1.00 0.00 O ATOM 694 CB PRO A 44 2.064 -16.658 2.721 1.00 0.00 C ATOM 695 CG PRO A 44 1.164 -16.251 1.604 1.00 0.00 C ATOM 696 CD PRO A 44 -0.132 -15.813 2.244 1.00 0.00 C ATOM 0 HA PRO A 44 1.938 -16.078 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.114 -16.547 2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.914 -17.702 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.605 -15.440 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.998 -17.080 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.525 -14.910 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.902 -16.579 2.155 1.00 0.00 H new ATOM 704 N TYR A 45 1.713 -13.483 2.975 1.00 0.00 N ATOM 705 CA TYR A 45 2.268 -12.174 2.674 1.00 0.00 C ATOM 706 C TYR A 45 1.788 -11.097 3.646 1.00 0.00 C ATOM 707 O TYR A 45 0.592 -10.820 3.739 1.00 0.00 O ATOM 708 CB TYR A 45 1.880 -11.776 1.251 1.00 0.00 C ATOM 709 CG TYR A 45 2.528 -12.626 0.183 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.909 -12.729 0.095 1.00 0.00 C ATOM 711 CD2 TYR A 45 1.757 -13.328 -0.738 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.506 -13.506 -0.881 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.346 -14.107 -1.715 1.00 0.00 C ATOM 714 CZ TYR A 45 3.721 -14.192 -1.783 1.00 0.00 C ATOM 715 OH TYR A 45 4.313 -14.965 -2.755 1.00 0.00 O ATOM 0 H TYR A 45 0.772 -13.633 2.611 1.00 0.00 H new ATOM 0 HA TYR A 45 3.351 -12.248 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.797 -11.842 1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.153 -10.733 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.528 -12.194 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.680 -13.263 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.582 -13.575 -0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.733 -14.647 -2.422 1.00 0.00 H new ATOM 0 HH TYR A 45 3.620 -15.382 -3.308 1.00 0.00 H new ATOM 725 N PHE A 46 2.731 -10.480 4.352 1.00 0.00 N ATOM 726 CA PHE A 46 2.409 -9.417 5.299 1.00 0.00 C ATOM 727 C PHE A 46 3.113 -8.124 4.903 1.00 0.00 C ATOM 728 O PHE A 46 4.342 -8.058 4.882 1.00 0.00 O ATOM 729 CB PHE A 46 2.810 -9.825 6.717 1.00 0.00 C ATOM 730 CG PHE A 46 1.711 -10.517 7.468 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.398 -11.837 7.194 1.00 0.00 C ATOM 732 CD2 PHE A 46 0.987 -9.846 8.441 1.00 0.00 C ATOM 733 CE1 PHE A 46 0.384 -12.480 7.878 1.00 0.00 C ATOM 734 CE2 PHE A 46 -0.028 -10.483 9.128 1.00 0.00 C ATOM 735 CZ PHE A 46 -0.331 -11.801 8.846 1.00 0.00 C ATOM 0 H PHE A 46 3.725 -10.698 4.286 1.00 0.00 H new ATOM 0 HA PHE A 46 1.332 -9.249 5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.677 -10.484 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.116 -8.937 7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.953 -12.371 6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.219 -8.815 8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.151 -13.511 7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.585 -9.951 9.885 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.125 -12.300 9.381 1.00 0.00 H new ATOM 745 N LEU A 47 2.329 -7.102 4.570 1.00 0.00 N ATOM 746 CA LEU A 47 2.891 -5.821 4.153 1.00 0.00 C ATOM 747 C LEU A 47 2.496 -4.682 5.088 1.00 0.00 C ATOM 748 O LEU A 47 1.334 -4.285 5.148 1.00 0.00 O ATOM 749 CB LEU A 47 2.452 -5.491 2.728 1.00 0.00 C ATOM 750 CG LEU A 47 3.510 -5.744 1.654 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.035 -5.216 0.312 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.832 -5.100 2.045 1.00 0.00 C ATOM 0 H LEU A 47 1.310 -7.135 4.581 1.00 0.00 H new ATOM 0 HA LEU A 47 3.976 -5.920 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.566 -6.080 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.158 -4.442 2.688 1.00 0.00 H new ATOM 0 HG LEU A 47 3.666 -6.819 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.798 -5.403 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.112 -5.722 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.853 -4.144 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.573 -5.290 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.693 -4.025 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.178 -5.523 2.988 1.00 0.00 H new ATOM 764 N ARG A 48 3.484 -4.148 5.799 1.00 0.00 N ATOM 765 CA ARG A 48 3.259 -3.040 6.717 1.00 0.00 C ATOM 766 C ARG A 48 4.092 -1.834 6.290 1.00 0.00 C ATOM 767 O ARG A 48 5.322 -1.867 6.345 1.00 0.00 O ATOM 768 CB ARG A 48 3.619 -3.453 8.144 1.00 0.00 C ATOM 769 CG ARG A 48 3.663 -2.292 9.119 1.00 0.00 C ATOM 770 CD ARG A 48 4.995 -2.233 9.849 1.00 0.00 C ATOM 771 NE ARG A 48 4.878 -2.690 11.230 1.00 0.00 N ATOM 772 CZ ARG A 48 5.015 -3.959 11.604 1.00 0.00 C ATOM 773 NH1 ARG A 48 5.283 -4.896 10.703 1.00 0.00 N ATOM 774 NH2 ARG A 48 4.883 -4.291 12.881 1.00 0.00 N ATOM 0 H ARG A 48 4.452 -4.467 5.756 1.00 0.00 H new ATOM 0 HA ARG A 48 2.204 -2.768 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.892 -4.185 8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.591 -3.947 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.498 -1.358 8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.854 -2.391 9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.725 -2.849 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.372 -1.210 9.835 1.00 0.00 H new ATOM 0 HE ARG A 48 4.680 -1.996 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.385 -4.644 9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.387 -5.868 10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.676 -3.573 13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.988 -5.264 13.168 1.00 0.00 H new ATOM 788 N LEU A 49 3.420 -0.776 5.846 1.00 0.00 N ATOM 789 CA LEU A 49 4.110 0.426 5.391 1.00 0.00 C ATOM 790 C LEU A 49 3.589 1.675 6.095 1.00 0.00 C ATOM 791 O LEU A 49 2.380 1.873 6.223 1.00 0.00 O ATOM 792 CB LEU A 49 3.949 0.575 3.879 1.00 0.00 C ATOM 793 CG LEU A 49 3.739 -0.738 3.122 1.00 0.00 C ATOM 794 CD1 LEU A 49 3.655 -0.488 1.623 1.00 0.00 C ATOM 795 CD2 LEU A 49 4.858 -1.717 3.438 1.00 0.00 C ATOM 0 H LEU A 49 2.403 -0.727 5.792 1.00 0.00 H new ATOM 0 HA LEU A 49 5.166 0.320 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.101 1.231 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.835 1.070 3.481 1.00 0.00 H new ATOM 0 HG LEU A 49 2.795 -1.175 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.506 -1.435 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.818 0.178 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.581 -0.028 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.694 -2.646 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.814 -1.285 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.870 -1.923 4.508 1.00 0.00 H new ATOM 807 N THR A 50 4.515 2.519 6.541 1.00 0.00 N ATOM 808 CA THR A 50 4.165 3.759 7.225 1.00 0.00 C ATOM 809 C THR A 50 4.453 4.964 6.335 1.00 0.00 C ATOM 810 O THR A 50 5.608 5.245 6.015 1.00 0.00 O ATOM 811 CB THR A 50 4.943 3.911 8.545 1.00 0.00 C ATOM 812 OG1 THR A 50 5.097 2.649 9.208 1.00 0.00 O ATOM 813 CG2 THR A 50 4.229 4.866 9.488 1.00 0.00 C ATOM 0 H THR A 50 5.518 2.365 6.440 1.00 0.00 H new ATOM 0 HA THR A 50 3.099 3.715 7.448 1.00 0.00 H new ATOM 0 HB THR A 50 5.925 4.308 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.596 2.776 10.042 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.798 4.957 10.413 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.143 5.845 9.017 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.234 4.481 9.710 1.00 0.00 H new ATOM 821 N LEU A 51 3.399 5.663 5.928 1.00 0.00 N ATOM 822 CA LEU A 51 3.549 6.829 5.061 1.00 0.00 C ATOM 823 C LEU A 51 4.000 8.058 5.849 1.00 0.00 C ATOM 824 O LEU A 51 3.649 8.222 7.018 1.00 0.00 O ATOM 825 CB LEU A 51 2.234 7.126 4.340 1.00 0.00 C ATOM 826 CG LEU A 51 1.683 5.975 3.497 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.233 6.233 3.123 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.529 5.778 2.248 1.00 0.00 C ATOM 0 H LEU A 51 2.436 5.445 6.182 1.00 0.00 H new ATOM 0 HA LEU A 51 4.319 6.598 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.485 7.403 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.379 7.992 3.694 1.00 0.00 H new ATOM 0 HG LEU A 51 1.727 5.062 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.141 5.403 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.366 6.325 4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.164 7.156 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.123 4.955 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.517 6.691 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.555 5.547 2.536 1.00 0.00 H new ATOM 840 N PRO A 52 4.786 8.944 5.210 1.00 0.00 N ATOM 841 CA PRO A 52 5.290 10.168 5.841 1.00 0.00 C ATOM 842 C PRO A 52 4.193 11.210 6.033 1.00 0.00 C ATOM 843 O PRO A 52 4.374 12.192 6.753 1.00 0.00 O ATOM 844 CB PRO A 52 6.340 10.697 4.852 1.00 0.00 C ATOM 845 CG PRO A 52 6.516 9.627 3.823 1.00 0.00 C ATOM 846 CD PRO A 52 5.247 8.825 3.822 1.00 0.00 C ATOM 0 HA PRO A 52 5.688 9.966 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.009 11.628 4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.281 10.909 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.702 10.060 2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.373 8.997 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.517 9.224 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.425 7.787 3.543 1.00 0.00 H new ATOM 854 N GLY A 53 3.056 10.986 5.385 1.00 0.00 N ATOM 855 CA GLY A 53 1.940 11.907 5.492 1.00 0.00 C ATOM 856 C GLY A 53 0.617 11.179 5.598 1.00 0.00 C ATOM 857 O GLY A 53 0.403 10.171 4.926 1.00 0.00 O ATOM 0 H GLY A 53 2.887 10.179 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.076 12.542 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.925 12.563 4.621 1.00 0.00 H new ATOM 861 N ARG A 54 -0.265 11.668 6.462 1.00 0.00 N ATOM 862 CA ARG A 54 -1.558 11.025 6.668 1.00 0.00 C ATOM 863 C ARG A 54 -2.404 11.034 5.397 1.00 0.00 C ATOM 864 O ARG A 54 -2.232 11.883 4.523 1.00 0.00 O ATOM 865 CB ARG A 54 -2.335 11.712 7.799 1.00 0.00 C ATOM 866 CG ARG A 54 -1.458 12.436 8.809 1.00 0.00 C ATOM 867 CD ARG A 54 -2.147 12.548 10.160 1.00 0.00 C ATOM 868 NE ARG A 54 -1.579 11.631 11.144 1.00 0.00 N ATOM 869 CZ ARG A 54 -0.381 11.793 11.693 1.00 0.00 C ATOM 870 NH1 ARG A 54 0.372 12.828 11.352 1.00 0.00 N ATOM 871 NH2 ARG A 54 0.065 10.920 12.586 1.00 0.00 N ATOM 0 H ARG A 54 -0.110 12.502 7.028 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.357 9.989 6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.033 12.427 7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.930 10.964 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.514 11.902 8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.218 13.432 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.061 13.571 10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.210 12.340 10.042 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.133 10.822 11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.032 13.502 10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.292 12.951 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.513 10.122 12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.986 11.046 13.007 1.00 0.00 H new ATOM 885 N ILE A 55 -3.326 10.076 5.316 1.00 0.00 N ATOM 886 CA ILE A 55 -4.222 9.950 4.171 1.00 0.00 C ATOM 887 C ILE A 55 -5.671 10.094 4.619 1.00 0.00 C ATOM 888 O ILE A 55 -6.114 9.407 5.540 1.00 0.00 O ATOM 889 CB ILE A 55 -4.043 8.587 3.469 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.650 8.490 2.844 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.117 8.375 2.409 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.338 9.614 1.881 1.00 0.00 C ATOM 0 H ILE A 55 -3.471 9.370 6.038 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.972 10.743 3.466 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.147 7.802 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.904 8.486 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.562 7.539 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.969 7.408 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.101 8.401 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.051 9.165 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.334 9.479 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.061 9.606 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.393 10.568 2.405 1.00 0.00 H new ATOM 904 N VAL A 56 -6.401 11.007 3.985 1.00 0.00 N ATOM 905 CA VAL A 56 -7.792 11.251 4.352 1.00 0.00 C ATOM 906 C VAL A 56 -8.677 10.040 4.093 1.00 0.00 C ATOM 907 O VAL A 56 -8.324 9.138 3.333 1.00 0.00 O ATOM 908 CB VAL A 56 -8.367 12.469 3.607 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.558 12.153 2.135 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.676 12.910 4.243 1.00 0.00 C ATOM 0 H VAL A 56 -6.056 11.586 3.220 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.790 11.454 5.423 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.656 13.292 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.965 13.026 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.598 11.889 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.248 11.316 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.070 13.772 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.396 12.093 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.501 13.181 5.284 1.00 0.00 H new ATOM 920 N GLU A 57 -9.835 10.042 4.744 1.00 0.00 N ATOM 921 CA GLU A 57 -10.801 8.963 4.611 1.00 0.00 C ATOM 922 C GLU A 57 -12.164 9.500 4.189 1.00 0.00 C ATOM 923 O GLU A 57 -12.717 10.387 4.839 1.00 0.00 O ATOM 924 CB GLU A 57 -10.928 8.213 5.935 1.00 0.00 C ATOM 925 CG GLU A 57 -11.063 9.130 7.137 1.00 0.00 C ATOM 926 CD GLU A 57 -9.779 9.870 7.451 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.709 9.223 7.465 1.00 0.00 O ATOM 928 OE2 GLU A 57 -9.840 11.096 7.682 1.00 0.00 O ATOM 0 H GLU A 57 -10.127 10.788 5.375 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.447 8.280 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.796 7.555 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.053 7.577 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.858 9.852 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.362 8.543 8.006 1.00 0.00 H new ATOM 935 N ASN A 58 -12.706 8.960 3.105 1.00 0.00 N ATOM 936 CA ASN A 58 -14.011 9.395 2.615 1.00 0.00 C ATOM 937 C ASN A 58 -14.754 8.266 1.900 1.00 0.00 C ATOM 938 O ASN A 58 -15.796 8.496 1.286 1.00 0.00 O ATOM 939 CB ASN A 58 -13.847 10.590 1.675 1.00 0.00 C ATOM 940 CG ASN A 58 -15.125 11.396 1.535 1.00 0.00 C ATOM 941 OD1 ASN A 58 -16.153 11.058 2.122 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.065 12.467 0.751 1.00 0.00 N ATOM 0 H ASN A 58 -12.267 8.225 2.550 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.607 9.690 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.052 11.236 2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.535 10.236 0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.893 13.047 0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.191 12.709 0.284 1.00 0.00 H new ATOM 949 N GLY A 59 -14.223 7.047 1.982 1.00 0.00 N ATOM 950 CA GLY A 59 -14.862 5.915 1.336 1.00 0.00 C ATOM 951 C GLY A 59 -14.769 5.966 -0.179 1.00 0.00 C ATOM 952 O GLY A 59 -15.247 5.063 -0.865 1.00 0.00 O ATOM 0 H GLY A 59 -13.363 6.825 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.402 4.993 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.911 5.881 1.629 1.00 0.00 H new ATOM 956 N SER A 60 -14.155 7.022 -0.706 1.00 0.00 N ATOM 957 CA SER A 60 -14.006 7.181 -2.148 1.00 0.00 C ATOM 958 C SER A 60 -12.619 6.737 -2.607 1.00 0.00 C ATOM 959 O SER A 60 -11.937 7.456 -3.335 1.00 0.00 O ATOM 960 CB SER A 60 -14.249 8.639 -2.548 1.00 0.00 C ATOM 961 OG SER A 60 -15.069 8.724 -3.700 1.00 0.00 O ATOM 0 H SER A 60 -13.753 7.780 -0.155 1.00 0.00 H new ATOM 0 HA SER A 60 -14.747 6.549 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.721 9.172 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.295 9.130 -2.740 1.00 0.00 H new ATOM 0 HG SER A 60 -15.210 9.666 -3.933 1.00 0.00 H new ATOM 967 N GLU A 61 -12.209 5.548 -2.173 1.00 0.00 N ATOM 968 CA GLU A 61 -10.902 5.012 -2.539 1.00 0.00 C ATOM 969 C GLU A 61 -10.948 4.328 -3.901 1.00 0.00 C ATOM 970 O GLU A 61 -12.022 4.005 -4.409 1.00 0.00 O ATOM 971 CB GLU A 61 -10.422 4.022 -1.475 1.00 0.00 C ATOM 972 CG GLU A 61 -9.040 3.454 -1.750 1.00 0.00 C ATOM 973 CD GLU A 61 -8.395 2.872 -0.507 1.00 0.00 C ATOM 974 OE1 GLU A 61 -9.136 2.513 0.433 1.00 0.00 O ATOM 975 OE2 GLU A 61 -7.151 2.777 -0.473 1.00 0.00 O ATOM 0 H GLU A 61 -12.761 4.939 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.202 5.845 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.414 4.520 -0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.136 3.201 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.114 2.680 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.401 4.240 -2.153 1.00 0.00 H new ATOM 982 N GLN A 62 -9.775 4.107 -4.488 1.00 0.00 N ATOM 983 CA GLN A 62 -9.684 3.458 -5.791 1.00 0.00 C ATOM 984 C GLN A 62 -8.815 2.206 -5.717 1.00 0.00 C ATOM 985 O GLN A 62 -7.670 2.260 -5.270 1.00 0.00 O ATOM 986 CB GLN A 62 -9.112 4.426 -6.828 1.00 0.00 C ATOM 987 CG GLN A 62 -10.126 5.430 -7.349 1.00 0.00 C ATOM 988 CD GLN A 62 -11.109 4.815 -8.326 1.00 0.00 C ATOM 989 OE1 GLN A 62 -11.217 3.594 -8.431 1.00 0.00 O ATOM 990 NE2 GLN A 62 -11.832 5.662 -9.050 1.00 0.00 N ATOM 0 H GLN A 62 -8.876 4.368 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.690 3.164 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.274 4.965 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.716 3.854 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.674 5.856 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.601 6.251 -7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.710 6.668 -8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.509 5.307 -9.725 1.00 0.00 H new ATOM 999 N GLY A 63 -9.366 1.082 -6.163 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.628 -0.167 -6.145 1.00 0.00 C ATOM 1001 C GLY A 63 -8.777 -0.937 -7.440 1.00 0.00 C ATOM 1002 O GLY A 63 -9.869 -1.004 -8.005 1.00 0.00 O ATOM 0 H GLY A 63 -10.312 1.014 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.573 0.039 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.978 -0.782 -5.316 1.00 0.00 H new ATOM 1006 N SER A 64 -7.681 -1.513 -7.920 1.00 0.00 N ATOM 1007 CA SER A 64 -7.708 -2.273 -9.163 1.00 0.00 C ATOM 1008 C SER A 64 -6.759 -3.465 -9.105 1.00 0.00 C ATOM 1009 O SER A 64 -5.539 -3.304 -9.137 1.00 0.00 O ATOM 1010 CB SER A 64 -7.340 -1.370 -10.341 1.00 0.00 C ATOM 1011 OG SER A 64 -6.026 -0.855 -10.202 1.00 0.00 O ATOM 0 H SER A 64 -6.767 -1.469 -7.470 1.00 0.00 H new ATOM 0 HA SER A 64 -8.720 -2.652 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.416 -1.933 -11.271 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.051 -0.546 -10.407 1.00 0.00 H new ATOM 0 HG SER A 64 -5.429 -1.563 -9.882 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.331 -4.662 -9.030 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.543 -5.886 -8.980 1.00 0.00 C ATOM 1019 C TYR A 65 -6.678 -6.656 -10.288 1.00 0.00 C ATOM 1020 O TYR A 65 -7.774 -7.077 -10.662 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.986 -6.762 -7.809 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.408 -8.158 -7.849 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -5.075 -8.389 -7.527 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.192 -9.244 -8.212 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.543 -9.664 -7.565 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.669 -10.522 -8.252 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.343 -10.727 -7.928 1.00 0.00 C ATOM 1028 OH TYR A 65 -4.819 -11.998 -7.967 1.00 0.00 O ATOM 0 H TYR A 65 -8.340 -4.810 -9.003 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.497 -5.615 -8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.693 -6.282 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.074 -6.828 -7.806 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.445 -7.559 -7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.229 -9.087 -8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.506 -9.827 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.294 -11.356 -8.535 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.516 -12.631 -8.241 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.562 -6.833 -10.985 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.562 -7.545 -12.256 1.00 0.00 C ATOM 1040 C ASP A 66 -4.873 -8.898 -12.128 1.00 0.00 C ATOM 1041 O ASP A 66 -3.789 -9.000 -11.552 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.868 -6.708 -13.330 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.707 -6.575 -14.586 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -6.837 -6.053 -14.491 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.234 -6.995 -15.663 1.00 0.00 O ATOM 0 H ASP A 66 -4.646 -6.493 -10.691 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.599 -7.715 -12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.653 -5.716 -12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.911 -7.165 -13.582 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.500 -9.935 -12.677 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.939 -11.278 -12.633 1.00 0.00 C ATOM 1052 C ALA A 67 -3.908 -11.456 -13.739 1.00 0.00 C ATOM 1053 O ALA A 67 -2.803 -11.943 -13.502 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.033 -12.329 -12.758 1.00 0.00 C ATOM 0 H ALA A 67 -6.397 -9.869 -13.157 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.448 -11.410 -11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.588 -13.323 -12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.740 -12.218 -11.936 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.556 -12.199 -13.706 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.279 -11.051 -14.950 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.386 -11.161 -16.094 1.00 0.00 C ATOM 1062 C ASP A 68 -2.045 -10.521 -15.762 1.00 0.00 C ATOM 1063 O ASP A 68 -0.991 -11.129 -15.948 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.001 -10.478 -17.316 1.00 0.00 C ATOM 1065 CG ASP A 68 -4.792 -11.439 -18.182 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -4.578 -12.663 -18.059 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -5.626 -10.967 -18.983 1.00 0.00 O ATOM 0 H ASP A 68 -5.190 -10.645 -15.162 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.235 -12.216 -16.323 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.654 -9.670 -16.986 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.209 -10.025 -17.912 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.096 -9.299 -15.245 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.888 -8.586 -14.860 1.00 0.00 C ATOM 1074 C LYS A 69 -0.464 -9.013 -13.461 1.00 0.00 C ATOM 1075 O LYS A 69 0.689 -8.843 -13.066 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.116 -7.073 -14.902 1.00 0.00 C ATOM 1077 CG LYS A 69 0.173 -6.270 -14.968 1.00 0.00 C ATOM 1078 CD LYS A 69 -0.081 -4.781 -14.787 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.147 -4.517 -13.736 1.00 0.00 C ATOM 1080 NZ LYS A 69 -1.234 -3.072 -13.382 1.00 0.00 N ATOM 0 H LYS A 69 -2.961 -8.783 -15.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.096 -8.832 -15.568 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.732 -6.830 -15.768 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.677 -6.773 -14.017 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.859 -6.619 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.660 -6.442 -15.928 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.846 -4.286 -14.498 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.391 -4.346 -15.737 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.114 -4.859 -14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.925 -5.097 -12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.972 -2.935 -12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.319 -2.751 -13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.471 -2.520 -14.231 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.414 -9.577 -12.718 1.00 0.00 N ATOM 1095 CA GLY A 70 -1.137 -10.034 -11.370 1.00 0.00 C ATOM 1096 C GLY A 70 -0.545 -8.950 -10.495 1.00 0.00 C ATOM 1097 O GLY A 70 0.541 -9.119 -9.941 1.00 0.00 O ATOM 0 H GLY A 70 -2.374 -9.725 -13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.060 -10.397 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.449 -10.878 -11.411 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.255 -7.836 -10.366 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.783 -6.727 -9.548 1.00 0.00 C ATOM 1103 C ILE A 71 -1.954 -5.999 -8.897 1.00 0.00 C ATOM 1104 O ILE A 71 -3.047 -5.938 -9.459 1.00 0.00 O ATOM 1105 CB ILE A 71 0.035 -5.721 -10.381 1.00 0.00 C ATOM 1106 CG1 ILE A 71 0.987 -6.460 -11.322 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.806 -4.781 -9.467 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.961 -5.548 -12.040 1.00 0.00 C ATOM 0 H ILE A 71 -2.157 -7.677 -10.816 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.141 -7.149 -8.775 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.652 -5.127 -10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.548 -7.199 -10.750 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.402 -7.007 -12.061 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.379 -4.076 -10.070 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.107 -4.233 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.485 -5.359 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.604 -6.142 -12.690 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.408 -4.825 -12.640 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.573 -5.020 -11.308 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.722 -5.452 -7.709 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.765 -4.735 -6.984 1.00 0.00 C ATOM 1122 C PHE A 72 -2.407 -3.260 -6.821 1.00 0.00 C ATOM 1123 O PHE A 72 -1.386 -2.918 -6.224 1.00 0.00 O ATOM 1124 CB PHE A 72 -2.989 -5.376 -5.614 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.880 -4.573 -4.711 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.904 -3.799 -5.233 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.695 -4.596 -3.338 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.726 -3.062 -4.402 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.513 -3.860 -2.502 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.531 -3.093 -3.035 1.00 0.00 C ATOM 0 H PHE A 72 -0.823 -5.491 -7.228 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.686 -4.799 -7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.424 -6.366 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.024 -5.517 -5.126 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.061 -3.771 -6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.902 -5.196 -2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.520 -2.462 -4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.357 -3.884 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.173 -2.519 -2.384 1.00 0.00 H new ATOM 1140 N THR A 73 -3.262 -2.392 -7.354 1.00 0.00 N ATOM 1141 CA THR A 73 -3.048 -0.953 -7.268 1.00 0.00 C ATOM 1142 C THR A 73 -4.201 -0.281 -6.532 1.00 0.00 C ATOM 1143 O THR A 73 -5.368 -0.563 -6.803 1.00 0.00 O ATOM 1144 CB THR A 73 -2.906 -0.324 -8.667 1.00 0.00 C ATOM 1145 OG1 THR A 73 -1.854 -0.949 -9.415 1.00 0.00 O ATOM 1146 CG2 THR A 73 -2.606 1.163 -8.566 1.00 0.00 C ATOM 0 H THR A 73 -4.111 -2.662 -7.851 1.00 0.00 H new ATOM 0 HA THR A 73 -2.122 -0.795 -6.715 1.00 0.00 H new ATOM 0 HB THR A 73 -3.856 -0.476 -9.180 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.788 -0.531 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.510 1.584 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.418 1.663 -8.038 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.674 1.310 -8.020 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.871 0.600 -5.593 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.892 1.293 -4.818 1.00 0.00 C ATOM 1156 C ILE A 74 -4.528 2.752 -4.568 1.00 0.00 C ATOM 1157 O ILE A 74 -3.521 3.050 -3.925 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.116 0.600 -3.460 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.408 1.100 -2.812 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -3.927 0.842 -2.542 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.544 0.103 -2.882 1.00 0.00 C ATOM 0 H ILE A 74 -2.912 0.849 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.807 1.256 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.210 -0.473 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.211 1.342 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.716 2.024 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.099 0.347 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.024 0.440 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.805 1.913 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.428 0.524 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.768 -0.121 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.256 -0.814 -2.368 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.361 3.658 -5.069 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.140 5.089 -4.891 1.00 0.00 C ATOM 1175 C ARG A 75 -5.868 5.585 -3.653 1.00 0.00 C ATOM 1176 O ARG A 75 -6.979 5.145 -3.356 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.611 5.858 -6.126 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.259 5.170 -7.435 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.705 5.989 -8.635 1.00 0.00 C ATOM 1180 NE ARG A 75 -4.644 6.864 -9.126 1.00 0.00 N ATOM 1181 CZ ARG A 75 -4.871 7.999 -9.777 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -6.115 8.397 -10.010 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -3.854 8.741 -10.198 1.00 0.00 N ATOM 0 H ARG A 75 -6.198 3.426 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.072 5.262 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.692 5.990 -6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.167 6.854 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.182 5.009 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.730 4.188 -7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.021 5.318 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.573 6.590 -8.362 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.676 6.588 -8.960 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.900 7.831 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.286 9.269 -10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.896 8.440 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.031 9.612 -10.698 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.234 6.493 -2.923 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.819 7.034 -1.708 1.00 0.00 C ATOM 1199 C LEU A 76 -5.724 8.559 -1.685 1.00 0.00 C ATOM 1200 O LEU A 76 -4.776 9.138 -2.213 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.106 6.443 -0.492 1.00 0.00 C ATOM 1202 CG LEU A 76 -5.062 4.914 -0.446 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.688 4.404 -0.856 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -5.427 4.417 0.944 1.00 0.00 C ATOM 0 H LEU A 76 -4.314 6.869 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.874 6.763 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.084 6.821 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.599 6.804 0.410 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.793 4.525 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.678 3.315 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.466 4.733 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.935 4.799 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.392 3.328 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.719 4.815 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.433 4.751 1.197 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.711 9.230 -1.073 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.737 10.689 -0.983 1.00 0.00 C ATOM 1218 C PRO A 77 -5.856 11.208 0.152 1.00 0.00 C ATOM 1219 O PRO A 77 -5.702 10.553 1.185 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.208 10.981 -0.715 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.691 9.798 0.056 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.882 8.615 -0.421 1.00 0.00 C ATOM 0 HA PRO A 77 -6.350 11.176 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.332 11.903 -0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.764 11.103 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.558 9.952 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.755 9.633 -0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.587 7.972 0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.449 7.997 -1.117 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.283 12.390 -0.033 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.419 12.981 0.981 1.00 0.00 C ATOM 1232 C LYS A 78 -5.226 13.748 2.023 1.00 0.00 C ATOM 1233 O LYS A 78 -6.340 14.200 1.755 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.398 13.914 0.329 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.492 13.221 -0.674 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.510 12.286 0.015 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.368 11.899 -0.910 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.674 12.960 -0.981 1.00 0.00 N ATOM 0 H LYS A 78 -5.400 12.957 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.897 12.168 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.927 14.724 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.784 14.367 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.097 12.656 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.943 13.968 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.110 12.769 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.032 11.388 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.083 10.970 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.759 11.707 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.232 12.841 -1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.218 13.895 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.301 12.886 -0.155 1.00 0.00 H new ATOM 1252 N GLU A 79 -4.645 13.897 3.209 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.290 14.616 4.299 1.00 0.00 C ATOM 1254 C GLU A 79 -4.934 16.095 4.236 1.00 0.00 C ATOM 1255 O GLU A 79 -5.650 16.946 4.763 1.00 0.00 O ATOM 1256 CB GLU A 79 -4.863 14.031 5.646 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.536 14.688 6.839 1.00 0.00 C ATOM 1258 CD GLU A 79 -4.814 14.406 8.142 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -4.695 13.218 8.510 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -4.367 15.372 8.795 1.00 0.00 O ATOM 0 H GLU A 79 -3.723 13.526 3.439 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.370 14.508 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.087 12.964 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.783 14.131 5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.581 15.765 6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.564 14.333 6.913 1.00 0.00 H new ATOM 1267 N THR A 80 -3.819 16.391 3.577 1.00 0.00 N ATOM 1268 CA THR A 80 -3.356 17.763 3.426 1.00 0.00 C ATOM 1269 C THR A 80 -3.051 18.070 1.964 1.00 0.00 C ATOM 1270 O THR A 80 -2.323 17.331 1.302 1.00 0.00 O ATOM 1271 CB THR A 80 -2.096 18.034 4.270 1.00 0.00 C ATOM 1272 OG1 THR A 80 -2.339 17.806 5.664 1.00 0.00 O ATOM 1273 CG2 THR A 80 -1.626 19.470 4.091 1.00 0.00 C ATOM 0 H THR A 80 -3.217 15.694 3.137 1.00 0.00 H new ATOM 0 HA THR A 80 -4.159 18.411 3.778 1.00 0.00 H new ATOM 0 HB THR A 80 -1.327 17.344 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.520 17.985 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.735 19.639 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.391 19.648 3.042 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.414 20.153 4.407 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.614 19.168 1.441 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.409 19.576 0.047 1.00 0.00 C ATOM 1283 C PRO A 81 -1.991 20.069 -0.217 1.00 0.00 C ATOM 1284 O PRO A 81 -1.453 20.880 0.537 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.411 20.717 -0.139 1.00 0.00 C ATOM 1286 CG PRO A 81 -4.618 21.267 1.230 1.00 0.00 C ATOM 1287 CD PRO A 81 -4.497 20.097 2.167 1.00 0.00 C ATOM 0 HA PRO A 81 -3.552 18.744 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.023 21.478 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.347 20.356 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.875 22.031 1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.597 21.738 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.069 20.392 3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.468 19.648 2.376 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.396 19.583 -1.300 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.049 19.990 -1.656 1.00 0.00 C ATOM 1297 C GLY A 82 1.023 19.196 -0.934 1.00 0.00 C ATOM 1298 O GLY A 82 2.212 19.473 -1.087 1.00 0.00 O ATOM 0 H GLY A 82 -1.823 18.913 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.086 19.877 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.076 21.049 -1.429 1.00 0.00 H new ATOM 1302 N GLN A 83 0.607 18.207 -0.148 1.00 0.00 N ATOM 1303 CA GLN A 83 1.554 17.378 0.590 1.00 0.00 C ATOM 1304 C GLN A 83 2.132 16.288 -0.305 1.00 0.00 C ATOM 1305 O GLN A 83 1.396 15.553 -0.962 1.00 0.00 O ATOM 1306 CB GLN A 83 0.882 16.747 1.809 1.00 0.00 C ATOM 1307 CG GLN A 83 1.748 16.775 3.057 1.00 0.00 C ATOM 1308 CD GLN A 83 2.326 18.149 3.334 1.00 0.00 C ATOM 1309 OE1 GLN A 83 1.619 19.185 2.899 1.00 0.00 O flip ATOM 1310 NE2 GLN A 83 3.395 18.278 3.931 1.00 0.00 N flip ATOM 0 H GLN A 83 -0.373 17.961 -0.006 1.00 0.00 H new ATOM 0 HA GLN A 83 2.367 18.020 0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.052 17.271 2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.624 15.714 1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.155 16.455 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.562 16.058 2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.905 17.453 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.771 19.209 4.109 1.00 0.00 H new ATOM 1319 N HIS A 84 3.457 16.192 -0.329 1.00 0.00 N ATOM 1320 CA HIS A 84 4.136 15.194 -1.148 1.00 0.00 C ATOM 1321 C HIS A 84 5.047 14.313 -0.298 1.00 0.00 C ATOM 1322 O HIS A 84 5.996 14.800 0.317 1.00 0.00 O ATOM 1323 CB HIS A 84 4.954 15.884 -2.241 1.00 0.00 C ATOM 1324 CG HIS A 84 4.963 15.146 -3.543 1.00 0.00 C ATOM 1325 ND1 HIS A 84 3.947 14.765 -4.352 1.00 0.00 N flip ATOM 1326 CD2 HIS A 84 6.121 14.716 -4.155 1.00 0.00 C flip ATOM 1327 CE1 HIS A 84 4.505 14.120 -5.428 1.00 0.00 C flip ATOM 1328 NE2 HIS A 84 5.817 14.104 -5.287 1.00 0.00 N flip ATOM 0 H HIS A 84 4.082 16.793 0.209 1.00 0.00 H new ATOM 0 HA HIS A 84 3.378 14.559 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.555 16.885 -2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.980 16.003 -1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.120 14.857 -3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.958 13.694 -6.256 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.483 13.690 -5.940 1.00 0.00 H new ATOM 1337 N PHE A 85 4.760 13.013 -0.273 1.00 0.00 N ATOM 1338 CA PHE A 85 5.561 12.071 0.493 1.00 0.00 C ATOM 1339 C PHE A 85 6.853 11.750 -0.254 1.00 0.00 C ATOM 1340 O PHE A 85 6.896 10.832 -1.072 1.00 0.00 O ATOM 1341 CB PHE A 85 4.771 10.787 0.740 1.00 0.00 C ATOM 1342 CG PHE A 85 3.413 11.004 1.349 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.997 12.269 1.737 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.549 9.935 1.532 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.745 12.460 2.295 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.299 10.121 2.088 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.897 11.385 2.471 1.00 0.00 C ATOM 0 H PHE A 85 3.978 12.592 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 85 5.810 12.524 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.652 10.260 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.351 10.138 1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.657 13.113 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.858 8.944 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.432 13.450 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.637 9.279 2.223 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.080 11.533 2.908 1.00 0.00 H new ATOM 1357 N GLU A 86 7.898 12.526 0.018 1.00 0.00 N ATOM 1358 CA GLU A 86 9.182 12.342 -0.644 1.00 0.00 C ATOM 1359 C GLU A 86 9.894 11.070 -0.186 1.00 0.00 C ATOM 1360 O GLU A 86 9.486 10.418 0.776 1.00 0.00 O ATOM 1361 CB GLU A 86 10.077 13.553 -0.384 1.00 0.00 C ATOM 1362 CG GLU A 86 9.612 14.815 -1.092 1.00 0.00 C ATOM 1363 CD GLU A 86 9.172 15.896 -0.124 1.00 0.00 C ATOM 1364 OE1 GLU A 86 8.248 15.638 0.675 1.00 0.00 O ATOM 1365 OE2 GLU A 86 9.751 17.002 -0.166 1.00 0.00 O ATOM 0 H GLU A 86 7.879 13.289 0.694 1.00 0.00 H new ATOM 0 HA GLU A 86 8.986 12.242 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.117 13.742 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.092 13.320 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.421 15.197 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.785 14.570 -1.758 1.00 0.00 H new ATOM 1372 N GLY A 87 10.976 10.743 -0.887 1.00 0.00 N ATOM 1373 CA GLY A 87 11.771 9.571 -0.563 1.00 0.00 C ATOM 1374 C GLY A 87 10.953 8.413 -0.021 1.00 0.00 C ATOM 1375 O GLY A 87 11.357 7.764 0.944 1.00 0.00 O ATOM 0 H GLY A 87 11.320 11.277 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.301 9.243 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.527 9.847 0.172 1.00 0.00 H new ATOM 1379 N LEU A 88 9.805 8.145 -0.635 1.00 0.00 N ATOM 1380 CA LEU A 88 8.950 7.050 -0.190 1.00 0.00 C ATOM 1381 C LEU A 88 9.668 5.711 -0.318 1.00 0.00 C ATOM 1382 O LEU A 88 9.899 5.032 0.682 1.00 0.00 O ATOM 1383 CB LEU A 88 7.650 7.027 -0.990 1.00 0.00 C ATOM 1384 CG LEU A 88 6.387 7.326 -0.180 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.143 7.111 -1.028 1.00 0.00 C ATOM 1386 CD2 LEU A 88 6.339 6.458 1.068 1.00 0.00 C ATOM 0 H LEU A 88 9.447 8.666 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 88 8.713 7.214 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.726 7.754 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.543 6.046 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 88 6.415 8.372 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.256 7.329 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.173 7.774 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.108 6.075 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.434 6.683 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.335 5.407 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.213 6.661 1.686 1.00 0.00 H new ATOM 1398 N ASN A 89 10.031 5.327 -1.544 1.00 0.00 N ATOM 1399 CA ASN A 89 10.729 4.065 -1.768 1.00 0.00 C ATOM 1400 C ASN A 89 12.230 4.232 -1.546 1.00 0.00 C ATOM 1401 O ASN A 89 13.024 3.362 -1.900 1.00 0.00 O ATOM 1402 CB ASN A 89 10.465 3.556 -3.189 1.00 0.00 C ATOM 1403 CG ASN A 89 11.334 2.366 -3.552 1.00 0.00 C ATOM 1404 OD1 ASN A 89 12.110 2.419 -4.506 1.00 0.00 O ATOM 1405 ND2 ASN A 89 11.209 1.285 -2.791 1.00 0.00 N ATOM 0 H ASN A 89 9.854 5.869 -2.389 1.00 0.00 H new ATOM 0 HA ASN A 89 10.350 3.335 -1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.415 3.277 -3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.645 4.363 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.769 0.455 -2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.553 1.284 -2.010 1.00 0.00 H new ATOM 1412 N MET A 90 12.606 5.350 -0.934 1.00 0.00 N ATOM 1413 CA MET A 90 14.003 5.628 -0.634 1.00 0.00 C ATOM 1414 C MET A 90 14.200 5.674 0.879 1.00 0.00 C ATOM 1415 O MET A 90 15.283 5.382 1.388 1.00 0.00 O ATOM 1416 CB MET A 90 14.444 6.947 -1.290 1.00 0.00 C ATOM 1417 CG MET A 90 14.526 8.131 -0.337 1.00 0.00 C ATOM 1418 SD MET A 90 16.091 8.194 0.556 1.00 0.00 S ATOM 1419 CE MET A 90 16.305 9.962 0.743 1.00 0.00 C ATOM 0 H MET A 90 11.959 6.080 -0.636 1.00 0.00 H new ATOM 0 HA MET A 90 14.624 4.832 -1.044 1.00 0.00 H new ATOM 0 HB2 MET A 90 15.421 6.800 -1.751 1.00 0.00 H new ATOM 0 HB3 MET A 90 13.747 7.190 -2.092 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.395 9.055 -0.900 1.00 0.00 H new ATOM 0 HG3 MET A 90 13.706 8.075 0.378 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.233 10.162 1.279 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.346 10.430 -0.241 1.00 0.00 H new ATOM 0 HE3 MET A 90 15.466 10.373 1.305 1.00 0.00 H new ATOM 1429 N LEU A 91 13.132 6.040 1.586 1.00 0.00 N ATOM 1430 CA LEU A 91 13.152 6.125 3.039 1.00 0.00 C ATOM 1431 C LEU A 91 13.846 4.906 3.644 1.00 0.00 C ATOM 1432 O LEU A 91 14.257 3.996 2.924 1.00 0.00 O ATOM 1433 CB LEU A 91 11.717 6.254 3.565 1.00 0.00 C ATOM 1434 CG LEU A 91 11.057 4.948 4.011 1.00 0.00 C ATOM 1435 CD1 LEU A 91 9.558 5.142 4.188 1.00 0.00 C ATOM 1436 CD2 LEU A 91 11.333 3.833 3.014 1.00 0.00 C ATOM 0 H LEU A 91 12.235 6.284 1.167 1.00 0.00 H new ATOM 0 HA LEU A 91 13.718 7.008 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.719 6.946 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.102 6.703 2.785 1.00 0.00 H new ATOM 0 HG LEU A 91 11.487 4.661 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.105 4.203 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.377 5.906 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.118 5.456 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.853 2.915 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.935 4.111 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.408 3.673 2.935 1.00 0.00 H new ATOM 1448 N THR A 92 13.979 4.888 4.967 1.00 0.00 N ATOM 1449 CA THR A 92 14.629 3.776 5.651 1.00 0.00 C ATOM 1450 C THR A 92 13.998 3.535 7.016 1.00 0.00 C ATOM 1451 O THR A 92 13.379 4.431 7.589 1.00 0.00 O ATOM 1452 CB THR A 92 16.136 4.042 5.836 1.00 0.00 C ATOM 1453 OG1 THR A 92 16.813 4.109 4.575 1.00 0.00 O ATOM 1454 CG2 THR A 92 16.782 2.950 6.675 1.00 0.00 C ATOM 0 H THR A 92 13.646 5.628 5.585 1.00 0.00 H new ATOM 0 HA THR A 92 14.495 2.892 5.028 1.00 0.00 H new ATOM 0 HB THR A 92 16.227 5.001 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.766 4.280 4.724 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.845 3.161 6.791 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.309 2.918 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.655 1.987 6.180 1.00 0.00 H new ATOM 1462 N ALA A 93 14.160 2.325 7.535 1.00 0.00 N ATOM 1463 CA ALA A 93 13.607 1.976 8.835 1.00 0.00 C ATOM 1464 C ALA A 93 14.704 1.946 9.892 1.00 0.00 C ATOM 1465 O ALA A 93 15.741 1.310 9.704 1.00 0.00 O ATOM 1466 CB ALA A 93 12.889 0.635 8.782 1.00 0.00 C ATOM 0 H ALA A 93 14.669 1.570 7.076 1.00 0.00 H new ATOM 0 HA ALA A 93 12.880 2.741 9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.486 0.399 9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.075 0.687 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.592 -0.142 8.482 1.00 0.00 H new ATOM 1472 N LEU A 94 14.470 2.635 11.003 1.00 0.00 N ATOM 1473 CA LEU A 94 15.440 2.684 12.084 1.00 0.00 C ATOM 1474 C LEU A 94 15.362 1.437 12.948 1.00 0.00 C ATOM 1475 O LEU A 94 14.277 0.935 13.239 1.00 0.00 O ATOM 1476 CB LEU A 94 15.215 3.927 12.938 1.00 0.00 C ATOM 1477 CG LEU A 94 16.134 5.085 12.591 1.00 0.00 C ATOM 1478 CD1 LEU A 94 15.334 6.303 12.154 1.00 0.00 C ATOM 1479 CD2 LEU A 94 17.036 5.424 13.767 1.00 0.00 C ATOM 0 H LEU A 94 13.617 3.166 11.176 1.00 0.00 H new ATOM 0 HA LEU A 94 16.435 2.729 11.642 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.180 4.251 12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 94 15.355 3.666 13.987 1.00 0.00 H new ATOM 0 HG LEU A 94 16.763 4.780 11.755 1.00 0.00 H new ATOM 0 HD11 LEU A 94 16.016 7.118 11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.741 6.052 11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.672 6.613 12.963 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.687 6.256 13.498 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.425 5.704 14.625 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.644 4.556 14.022 1.00 0.00 H new ATOM 1491 N LEU A 95 16.522 0.937 13.353 1.00 0.00 N ATOM 1492 CA LEU A 95 16.579 -0.255 14.179 1.00 0.00 C ATOM 1493 C LEU A 95 16.717 0.106 15.654 1.00 0.00 C ATOM 1494 O LEU A 95 17.746 0.629 16.083 1.00 0.00 O ATOM 1495 CB LEU A 95 17.738 -1.153 13.745 1.00 0.00 C ATOM 1496 CG LEU A 95 17.369 -2.232 12.725 1.00 0.00 C ATOM 1497 CD1 LEU A 95 17.062 -1.605 11.374 1.00 0.00 C ATOM 1498 CD2 LEU A 95 18.490 -3.253 12.601 1.00 0.00 C ATOM 0 H LEU A 95 17.431 1.338 13.123 1.00 0.00 H new ATOM 0 HA LEU A 95 15.644 -0.799 14.047 1.00 0.00 H new ATOM 0 HB2 LEU A 95 18.525 -0.528 13.322 1.00 0.00 H new ATOM 0 HB3 LEU A 95 18.155 -1.636 14.629 1.00 0.00 H new ATOM 0 HG LEU A 95 16.474 -2.747 13.075 1.00 0.00 H new ATOM 0 HD11 LEU A 95 16.802 -2.387 10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 95 16.226 -0.913 11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 95 17.938 -1.065 11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 95 18.211 -4.013 11.871 1.00 0.00 H new ATOM 0 HD22 LEU A 95 19.402 -2.754 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 95 18.661 -3.725 13.569 1.00 0.00 H new ATOM 1510 N ALA A 96 15.670 -0.176 16.423 1.00 0.00 N ATOM 1511 CA ALA A 96 15.664 0.116 17.852 1.00 0.00 C ATOM 1512 C ALA A 96 14.324 -0.255 18.476 1.00 0.00 C ATOM 1513 O ALA A 96 14.179 -1.412 18.924 1.00 0.00 O ATOM 1514 CB ALA A 96 15.973 1.584 18.112 1.00 0.00 C ATOM 1515 OXT ALA A 96 13.429 0.616 18.514 1.00 0.00 O ATOM 0 H ALA A 96 14.812 -0.608 16.079 1.00 0.00 H new ATOM 0 HA ALA A 96 16.444 -0.488 18.316 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.962 1.774 19.185 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.957 1.825 17.711 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.221 2.206 17.626 1.00 0.00 H new TER 1521 ALA A 96