USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0863 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= -0.153 (180deg=-1.06) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.0422 (180deg=-0.267) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.249 USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= 0.0976 (180deg=-1.23!) USER MOD Single : A 44 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.5!) USER MOD Single : A 46 GLN : amide:sc= -0.0044 X(o=-0.0044,f=-0.16) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0.395 K(o=0.4,f=-2.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0.0954 USER MOD Single : A 62 GLN :FLIP amide:sc= -1.06 F(o=-2.2!,f=-1.1) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 70 CYS SG : rot 21:sc= -1.35 USER MOD Single : A 71 GLN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 72 MET CE :methyl -177:sc= 0 (180deg=-0.0205) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -51:sc= 0.636 USER MOD Single : A 79 TYR OH : rot 98:sc= 1.63 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00383 USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0.00208 (180deg=0.00066) USER MOD Single : A 87 CYS SG : rot -127:sc= -1.33 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -162:sc= 0.841 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -137:sc= 0.00157 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.411 -14.492 -8.813 1.00 0.00 N ATOM 2 CA GLY A 1 -24.779 -14.053 -9.014 1.00 0.00 C ATOM 3 C GLY A 1 -24.863 -12.752 -9.787 1.00 0.00 C ATOM 4 O GLY A 1 -24.167 -12.569 -10.785 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.408 -15.385 -8.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.954 -14.638 -9.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.889 -13.768 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.330 -14.826 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.263 -13.928 -8.045 1.00 0.00 H new ATOM 8 N SER A 2 -25.719 -11.845 -9.325 1.00 0.00 N ATOM 9 CA SER A 2 -25.895 -10.556 -9.983 1.00 0.00 C ATOM 10 C SER A 2 -25.790 -9.413 -8.977 1.00 0.00 C ATOM 11 O SER A 2 -26.728 -9.144 -8.227 1.00 0.00 O ATOM 12 CB SER A 2 -27.250 -10.503 -10.693 1.00 0.00 C ATOM 13 OG SER A 2 -27.424 -9.268 -11.367 1.00 0.00 O ATOM 0 H SER A 2 -26.301 -11.980 -8.498 1.00 0.00 H new ATOM 0 HA SER A 2 -25.101 -10.441 -10.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.323 -11.324 -11.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.051 -10.640 -9.966 1.00 0.00 H new ATOM 0 HG SER A 2 -28.296 -9.259 -11.814 1.00 0.00 H new ATOM 19 N SER A 3 -24.641 -8.745 -8.969 1.00 0.00 N ATOM 20 CA SER A 3 -24.410 -7.634 -8.053 1.00 0.00 C ATOM 21 C SER A 3 -24.584 -6.297 -8.767 1.00 0.00 C ATOM 22 O SER A 3 -25.376 -5.455 -8.347 1.00 0.00 O ATOM 23 CB SER A 3 -23.006 -7.725 -7.451 1.00 0.00 C ATOM 24 OG SER A 3 -22.022 -7.819 -8.466 1.00 0.00 O ATOM 0 H SER A 3 -23.856 -8.954 -9.586 1.00 0.00 H new ATOM 0 HA SER A 3 -25.146 -7.697 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.814 -6.847 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.943 -8.595 -6.797 1.00 0.00 H new ATOM 0 HG SER A 3 -21.134 -7.874 -8.056 1.00 0.00 H new ATOM 30 N GLY A 4 -23.836 -6.109 -9.850 1.00 0.00 N ATOM 31 CA GLY A 4 -23.922 -4.873 -10.606 1.00 0.00 C ATOM 32 C GLY A 4 -22.826 -4.753 -11.646 1.00 0.00 C ATOM 33 O GLY A 4 -22.608 -5.671 -12.437 1.00 0.00 O ATOM 0 H GLY A 4 -23.172 -6.791 -10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.893 -4.818 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.863 -4.027 -9.921 1.00 0.00 H new ATOM 37 N SER A 5 -22.136 -3.617 -11.648 1.00 0.00 N ATOM 38 CA SER A 5 -21.060 -3.377 -12.603 1.00 0.00 C ATOM 39 C SER A 5 -19.712 -3.296 -11.894 1.00 0.00 C ATOM 40 O SER A 5 -19.549 -2.547 -10.930 1.00 0.00 O ATOM 41 CB SER A 5 -21.319 -2.086 -13.381 1.00 0.00 C ATOM 42 OG SER A 5 -20.261 -1.813 -14.283 1.00 0.00 O ATOM 0 H SER A 5 -22.303 -2.848 -10.999 1.00 0.00 H new ATOM 0 HA SER A 5 -21.033 -4.214 -13.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.257 -2.171 -13.930 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.431 -1.255 -12.685 1.00 0.00 H new ATOM 0 HG SER A 5 -20.451 -0.984 -14.769 1.00 0.00 H new ATOM 48 N SER A 6 -18.748 -4.072 -12.378 1.00 0.00 N ATOM 49 CA SER A 6 -17.414 -4.092 -11.789 1.00 0.00 C ATOM 50 C SER A 6 -16.341 -4.007 -12.870 1.00 0.00 C ATOM 51 O SER A 6 -16.469 -4.609 -13.936 1.00 0.00 O ATOM 52 CB SER A 6 -17.218 -5.362 -10.958 1.00 0.00 C ATOM 53 OG SER A 6 -18.186 -5.450 -9.927 1.00 0.00 O ATOM 0 H SER A 6 -18.866 -4.695 -13.177 1.00 0.00 H new ATOM 0 HA SER A 6 -17.319 -3.223 -11.138 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.289 -6.237 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.218 -5.366 -10.524 1.00 0.00 H new ATOM 0 HG SER A 6 -18.041 -6.271 -9.411 1.00 0.00 H new ATOM 59 N GLY A 7 -15.281 -3.256 -12.587 1.00 0.00 N ATOM 60 CA GLY A 7 -14.201 -3.106 -13.544 1.00 0.00 C ATOM 61 C GLY A 7 -13.072 -2.244 -13.014 1.00 0.00 C ATOM 62 O GLY A 7 -11.915 -2.425 -13.391 1.00 0.00 O ATOM 0 H GLY A 7 -15.151 -2.749 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.811 -4.090 -13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.591 -2.665 -14.461 1.00 0.00 H new ATOM 66 N ALA A 8 -13.409 -1.303 -12.139 1.00 0.00 N ATOM 67 CA ALA A 8 -12.415 -0.411 -11.556 1.00 0.00 C ATOM 68 C ALA A 8 -12.748 -0.093 -10.102 1.00 0.00 C ATOM 69 O ALA A 8 -13.678 0.661 -9.819 1.00 0.00 O ATOM 70 CB ALA A 8 -12.315 0.871 -12.369 1.00 0.00 C ATOM 0 H ALA A 8 -14.363 -1.139 -11.818 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.451 -0.918 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.569 1.528 -11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.022 0.632 -13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.282 1.373 -12.377 1.00 0.00 H new ATOM 76 N ALA A 9 -11.982 -0.673 -9.184 1.00 0.00 N ATOM 77 CA ALA A 9 -12.195 -0.449 -7.760 1.00 0.00 C ATOM 78 C ALA A 9 -11.227 0.597 -7.217 1.00 0.00 C ATOM 79 O ALA A 9 -11.545 1.320 -6.272 1.00 0.00 O ATOM 80 CB ALA A 9 -12.048 -1.755 -6.993 1.00 0.00 C ATOM 0 H ALA A 9 -11.209 -1.301 -9.401 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.209 -0.072 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.210 -1.573 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.784 -2.474 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.045 -2.155 -7.144 1.00 0.00 H new ATOM 86 N PHE A 10 -10.045 0.672 -7.819 1.00 0.00 N ATOM 87 CA PHE A 10 -9.030 1.629 -7.395 1.00 0.00 C ATOM 88 C PHE A 10 -9.084 2.893 -8.247 1.00 0.00 C ATOM 89 O PHE A 10 -8.761 2.869 -9.434 1.00 0.00 O ATOM 90 CB PHE A 10 -7.638 1.000 -7.483 1.00 0.00 C ATOM 91 CG PHE A 10 -7.314 0.095 -6.329 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.855 0.617 -5.130 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.470 -1.277 -6.442 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.556 -0.214 -4.067 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.173 -2.112 -5.382 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.716 -1.580 -4.193 1.00 0.00 C ATOM 0 H PHE A 10 -9.766 0.081 -8.602 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.234 1.902 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.562 0.433 -8.411 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.892 1.793 -7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.730 1.685 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.828 -1.699 -7.370 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.197 0.205 -3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.298 -3.180 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.484 -2.231 -3.363 1.00 0.00 H new ATOM 106 N ALA A 11 -9.497 3.997 -7.632 1.00 0.00 N ATOM 107 CA ALA A 11 -9.593 5.271 -8.333 1.00 0.00 C ATOM 108 C ALA A 11 -8.210 5.828 -8.652 1.00 0.00 C ATOM 109 O ALA A 11 -8.045 6.611 -9.588 1.00 0.00 O ATOM 110 CB ALA A 11 -10.388 6.270 -7.505 1.00 0.00 C ATOM 0 H ALA A 11 -9.770 4.034 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.113 5.101 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.452 7.217 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.392 5.882 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.890 6.427 -6.548 1.00 0.00 H new ATOM 116 N LYS A 12 -7.218 5.419 -7.869 1.00 0.00 N ATOM 117 CA LYS A 12 -5.847 5.876 -8.067 1.00 0.00 C ATOM 118 C LYS A 12 -4.849 4.833 -7.576 1.00 0.00 C ATOM 119 O LYS A 12 -4.688 4.633 -6.372 1.00 0.00 O ATOM 120 CB LYS A 12 -5.618 7.201 -7.335 1.00 0.00 C ATOM 121 CG LYS A 12 -4.173 7.666 -7.358 1.00 0.00 C ATOM 122 CD LYS A 12 -3.837 8.379 -8.658 1.00 0.00 C ATOM 123 CE LYS A 12 -4.103 9.873 -8.559 1.00 0.00 C ATOM 124 NZ LYS A 12 -5.520 10.207 -8.871 1.00 0.00 N ATOM 0 H LYS A 12 -7.338 4.771 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.692 6.027 -9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.245 7.969 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.940 7.095 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.992 8.336 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.512 6.809 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.789 8.211 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.429 7.956 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.861 10.219 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.445 10.405 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.577 11.184 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.878 9.556 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.096 10.115 -8.010 1.00 0.00 H new ATOM 138 N ILE A 13 -4.181 4.172 -8.516 1.00 0.00 N ATOM 139 CA ILE A 13 -3.197 3.151 -8.178 1.00 0.00 C ATOM 140 C ILE A 13 -1.868 3.780 -7.774 1.00 0.00 C ATOM 141 O ILE A 13 -1.656 4.980 -7.958 1.00 0.00 O ATOM 142 CB ILE A 13 -2.959 2.186 -9.355 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.473 2.957 -10.584 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.232 1.417 -9.675 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.834 2.077 -11.635 1.00 0.00 C ATOM 0 H ILE A 13 -4.303 4.325 -9.517 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.602 2.590 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.188 1.471 -9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.316 3.486 -11.028 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.754 3.713 -10.268 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.048 0.739 -10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.539 0.842 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.022 2.118 -9.945 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.513 2.690 -12.477 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.970 1.568 -11.207 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.557 1.338 -11.979 1.00 0.00 H new ATOM 157 N LEU A 14 -0.975 2.964 -7.226 1.00 0.00 N ATOM 158 CA LEU A 14 0.335 3.440 -6.798 1.00 0.00 C ATOM 159 C LEU A 14 1.260 3.639 -7.995 1.00 0.00 C ATOM 160 O LEU A 14 0.927 3.263 -9.119 1.00 0.00 O ATOM 161 CB LEU A 14 0.962 2.451 -5.814 1.00 0.00 C ATOM 162 CG LEU A 14 0.123 2.106 -4.583 1.00 0.00 C ATOM 163 CD1 LEU A 14 -0.744 0.887 -4.853 1.00 0.00 C ATOM 164 CD2 LEU A 14 1.020 1.869 -3.376 1.00 0.00 C ATOM 0 H LEU A 14 -1.134 1.969 -7.068 1.00 0.00 H new ATOM 0 HA LEU A 14 0.201 4.401 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.183 1.527 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.915 2.859 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.531 2.950 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.334 0.656 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.412 1.094 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.109 0.036 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.406 1.625 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.699 1.042 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.598 2.770 -3.169 1.00 0.00 H new ATOM 176 N ASP A 15 2.423 4.231 -7.745 1.00 0.00 N ATOM 177 CA ASP A 15 3.397 4.477 -8.802 1.00 0.00 C ATOM 178 C ASP A 15 4.046 3.173 -9.257 1.00 0.00 C ATOM 179 O ASP A 15 4.067 2.177 -8.535 1.00 0.00 O ATOM 180 CB ASP A 15 4.471 5.453 -8.317 1.00 0.00 C ATOM 181 CG ASP A 15 4.107 6.898 -8.594 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.332 7.144 -9.542 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.596 7.783 -7.862 1.00 0.00 O ATOM 0 H ASP A 15 2.714 4.549 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 15 2.873 4.917 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.623 5.319 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.417 5.220 -8.805 1.00 0.00 H new ATOM 188 N PRO A 16 4.586 3.179 -10.485 1.00 0.00 N ATOM 189 CA PRO A 16 5.245 2.004 -11.065 1.00 0.00 C ATOM 190 C PRO A 16 6.567 1.682 -10.377 1.00 0.00 C ATOM 191 O PRO A 16 7.161 0.630 -10.614 1.00 0.00 O ATOM 192 CB PRO A 16 5.485 2.415 -12.520 1.00 0.00 C ATOM 193 CG PRO A 16 5.543 3.903 -12.489 1.00 0.00 C ATOM 194 CD PRO A 16 4.598 4.332 -11.401 1.00 0.00 C ATOM 0 HA PRO A 16 4.642 1.103 -10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.413 1.991 -12.903 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.682 2.064 -13.168 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.556 4.250 -12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.249 4.325 -13.450 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.944 5.238 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.603 4.544 -11.793 1.00 0.00 H new ATOM 202 N ALA A 17 7.022 2.594 -9.524 1.00 0.00 N ATOM 203 CA ALA A 17 8.273 2.405 -8.800 1.00 0.00 C ATOM 204 C ALA A 17 8.489 3.516 -7.778 1.00 0.00 C ATOM 205 O ALA A 17 8.121 4.667 -8.011 1.00 0.00 O ATOM 206 CB ALA A 17 9.442 2.345 -9.772 1.00 0.00 C ATOM 0 H ALA A 17 6.543 3.471 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 17 8.213 1.459 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.370 2.204 -9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.300 1.512 -10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.495 3.276 -10.336 1.00 0.00 H new ATOM 212 N TYR A 18 9.087 3.163 -6.646 1.00 0.00 N ATOM 213 CA TYR A 18 9.349 4.131 -5.586 1.00 0.00 C ATOM 214 C TYR A 18 10.835 4.175 -5.244 1.00 0.00 C ATOM 215 O TYR A 18 11.583 3.250 -5.561 1.00 0.00 O ATOM 216 CB TYR A 18 8.537 3.784 -4.338 1.00 0.00 C ATOM 217 CG TYR A 18 7.056 4.047 -4.486 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.304 3.379 -5.444 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.408 4.964 -3.668 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.950 3.617 -5.584 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.054 5.208 -3.799 1.00 0.00 C ATOM 222 CZ TYR A 18 4.330 4.532 -4.759 1.00 0.00 C ATOM 223 OH TYR A 18 2.982 4.771 -4.895 1.00 0.00 O ATOM 0 H TYR A 18 9.400 2.215 -6.438 1.00 0.00 H new ATOM 0 HA TYR A 18 9.048 5.115 -5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.688 2.732 -4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.917 4.361 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.786 2.661 -6.091 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.972 5.496 -2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.381 3.090 -6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.566 5.923 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 18 2.701 5.441 -4.238 1.00 0.00 H new ATOM 233 N GLN A 19 11.255 5.256 -4.594 1.00 0.00 N ATOM 234 CA GLN A 19 12.651 5.421 -4.209 1.00 0.00 C ATOM 235 C GLN A 19 12.768 6.238 -2.926 1.00 0.00 C ATOM 236 O GLN A 19 12.192 7.319 -2.811 1.00 0.00 O ATOM 237 CB GLN A 19 13.436 6.100 -5.333 1.00 0.00 C ATOM 238 CG GLN A 19 13.478 5.291 -6.619 1.00 0.00 C ATOM 239 CD GLN A 19 13.862 6.129 -7.823 1.00 0.00 C ATOM 240 OE1 GLN A 19 14.660 7.060 -7.716 1.00 0.00 O ATOM 241 NE2 GLN A 19 13.294 5.801 -8.978 1.00 0.00 N ATOM 0 H GLN A 19 10.648 6.030 -4.323 1.00 0.00 H new ATOM 0 HA GLN A 19 13.071 4.432 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.990 7.073 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.456 6.282 -4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.191 4.474 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.501 4.840 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.638 5.021 -9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.514 6.329 -9.823 1.00 0.00 H new ATOM 250 N VAL A 20 13.518 5.712 -1.962 1.00 0.00 N ATOM 251 CA VAL A 20 13.712 6.393 -0.687 1.00 0.00 C ATOM 252 C VAL A 20 15.112 6.142 -0.138 1.00 0.00 C ATOM 253 O VAL A 20 15.848 5.298 -0.648 1.00 0.00 O ATOM 254 CB VAL A 20 12.674 5.937 0.356 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.966 4.516 0.814 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.652 6.893 1.538 1.00 0.00 C ATOM 0 H VAL A 20 14.001 4.817 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 20 13.584 7.459 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 20 11.688 5.948 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.223 4.211 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.926 3.842 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.959 4.475 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.913 6.556 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.636 6.917 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.390 7.893 1.192 1.00 0.00 H new ATOM 266 N ASP A 21 15.473 6.882 0.905 1.00 0.00 N ATOM 267 CA ASP A 21 16.785 6.739 1.526 1.00 0.00 C ATOM 268 C ASP A 21 16.779 5.616 2.557 1.00 0.00 C ATOM 269 O ASP A 21 15.740 5.292 3.133 1.00 0.00 O ATOM 270 CB ASP A 21 17.205 8.053 2.186 1.00 0.00 C ATOM 271 CG ASP A 21 18.711 8.179 2.318 1.00 0.00 C ATOM 272 OD1 ASP A 21 19.404 8.107 1.282 1.00 0.00 O ATOM 273 OD2 ASP A 21 19.195 8.349 3.456 1.00 0.00 O ATOM 0 H ASP A 21 14.876 7.587 1.338 1.00 0.00 H new ATOM 0 HA ASP A 21 17.504 6.487 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.823 8.889 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.749 8.122 3.174 1.00 0.00 H new ATOM 278 N LYS A 22 17.946 5.022 2.785 1.00 0.00 N ATOM 279 CA LYS A 22 18.077 3.935 3.747 1.00 0.00 C ATOM 280 C LYS A 22 17.482 4.327 5.096 1.00 0.00 C ATOM 281 O LYS A 22 17.418 5.507 5.438 1.00 0.00 O ATOM 282 CB LYS A 22 19.549 3.553 3.919 1.00 0.00 C ATOM 283 CG LYS A 22 19.762 2.335 4.802 1.00 0.00 C ATOM 284 CD LYS A 22 21.180 2.281 5.345 1.00 0.00 C ATOM 285 CE LYS A 22 21.362 3.225 6.524 1.00 0.00 C ATOM 286 NZ LYS A 22 20.937 2.597 7.806 1.00 0.00 N ATOM 0 H LYS A 22 18.815 5.276 2.316 1.00 0.00 H new ATOM 0 HA LYS A 22 17.527 3.076 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.983 3.360 2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.088 4.399 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.055 2.357 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.555 1.430 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.414 1.262 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.883 2.544 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.409 3.522 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.784 4.133 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.076 3.271 8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.932 2.337 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.506 1.744 7.980 1.00 0.00 H new ATOM 300 N GLY A 23 17.048 3.328 5.859 1.00 0.00 N ATOM 301 CA GLY A 23 16.465 3.589 7.162 1.00 0.00 C ATOM 302 C GLY A 23 15.579 4.820 7.165 1.00 0.00 C ATOM 303 O GLY A 23 15.408 5.467 8.197 1.00 0.00 O ATOM 0 H GLY A 23 17.090 2.343 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.881 2.724 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.262 3.717 7.894 1.00 0.00 H new ATOM 307 N GLY A 24 15.016 5.144 6.006 1.00 0.00 N ATOM 308 CA GLY A 24 14.152 6.306 5.900 1.00 0.00 C ATOM 309 C GLY A 24 12.687 5.955 6.068 1.00 0.00 C ATOM 310 O GLY A 24 12.342 5.040 6.817 1.00 0.00 O ATOM 0 H GLY A 24 15.142 4.623 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.437 7.037 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.300 6.778 4.929 1.00 0.00 H new ATOM 314 N ARG A 25 11.821 6.685 5.372 1.00 0.00 N ATOM 315 CA ARG A 25 10.385 6.449 5.451 1.00 0.00 C ATOM 316 C ARG A 25 9.720 6.690 4.099 1.00 0.00 C ATOM 317 O ARG A 25 9.815 7.779 3.534 1.00 0.00 O ATOM 318 CB ARG A 25 9.754 7.354 6.510 1.00 0.00 C ATOM 319 CG ARG A 25 8.355 6.927 6.922 1.00 0.00 C ATOM 320 CD ARG A 25 7.572 8.086 7.518 1.00 0.00 C ATOM 321 NE ARG A 25 7.420 9.188 6.572 1.00 0.00 N ATOM 322 CZ ARG A 25 6.583 10.203 6.754 1.00 0.00 C ATOM 323 NH1 ARG A 25 5.827 10.256 7.842 1.00 0.00 N ATOM 324 NH2 ARG A 25 6.502 11.169 5.847 1.00 0.00 N ATOM 0 H ARG A 25 12.090 7.445 4.747 1.00 0.00 H new ATOM 0 HA ARG A 25 10.229 5.408 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.395 7.368 7.392 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.715 8.374 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.823 6.535 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.420 6.118 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.587 7.737 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.080 8.444 8.413 1.00 0.00 H new ATOM 0 HE ARG A 25 7.988 9.178 5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.887 9.516 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.185 11.037 7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.083 11.132 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.859 11.948 5.988 1.00 0.00 H new ATOM 338 N VAL A 26 9.046 5.665 3.586 1.00 0.00 N ATOM 339 CA VAL A 26 8.364 5.765 2.301 1.00 0.00 C ATOM 340 C VAL A 26 6.895 6.127 2.485 1.00 0.00 C ATOM 341 O VAL A 26 6.373 6.096 3.599 1.00 0.00 O ATOM 342 CB VAL A 26 8.462 4.447 1.509 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.879 4.235 0.999 1.00 0.00 C ATOM 344 CG2 VAL A 26 8.015 3.275 2.370 1.00 0.00 C ATOM 0 H VAL A 26 8.958 4.756 4.041 1.00 0.00 H new ATOM 0 HA VAL A 26 8.862 6.555 1.739 1.00 0.00 H new ATOM 0 HB VAL A 26 7.797 4.510 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.929 3.299 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.158 5.062 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.567 4.192 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.090 2.352 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.653 3.207 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.981 3.425 2.681 1.00 0.00 H new ATOM 354 N ARG A 27 6.233 6.469 1.384 1.00 0.00 N ATOM 355 CA ARG A 27 4.823 6.838 1.424 1.00 0.00 C ATOM 356 C ARG A 27 4.024 6.042 0.397 1.00 0.00 C ATOM 357 O ARG A 27 4.344 6.044 -0.791 1.00 0.00 O ATOM 358 CB ARG A 27 4.658 8.337 1.165 1.00 0.00 C ATOM 359 CG ARG A 27 3.254 8.851 1.437 1.00 0.00 C ATOM 360 CD ARG A 27 3.101 10.303 1.012 1.00 0.00 C ATOM 361 NE ARG A 27 3.407 10.495 -0.403 1.00 0.00 N ATOM 362 CZ ARG A 27 3.522 11.688 -0.975 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.358 12.790 -0.256 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.802 11.780 -2.268 1.00 0.00 N ATOM 0 H ARG A 27 6.650 6.498 0.454 1.00 0.00 H new ATOM 0 HA ARG A 27 4.440 6.604 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.364 8.885 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.919 8.549 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.530 8.236 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.030 8.756 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.081 10.633 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.761 10.928 1.614 1.00 0.00 H new ATOM 0 HE ARG A 27 3.540 9.667 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.143 12.723 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.447 13.705 -0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.929 10.934 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.890 12.697 -2.707 1.00 0.00 H new ATOM 378 N PHE A 28 2.982 5.361 0.864 1.00 0.00 N ATOM 379 CA PHE A 28 2.138 4.559 -0.013 1.00 0.00 C ATOM 380 C PHE A 28 0.662 4.859 0.230 1.00 0.00 C ATOM 381 O PHE A 28 0.098 4.474 1.255 1.00 0.00 O ATOM 382 CB PHE A 28 2.409 3.069 0.205 1.00 0.00 C ATOM 383 CG PHE A 28 3.743 2.620 -0.319 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.076 2.802 -1.651 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.664 2.014 0.521 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.303 2.390 -2.137 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.893 1.601 0.041 1.00 0.00 C ATOM 388 CZ PHE A 28 6.212 1.788 -1.290 1.00 0.00 C ATOM 0 H PHE A 28 2.702 5.349 1.845 1.00 0.00 H new ATOM 0 HA PHE A 28 2.379 4.818 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.354 2.850 1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.623 2.490 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.368 3.272 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.419 1.863 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.550 2.539 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.603 1.132 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.171 1.464 -1.667 1.00 0.00 H new ATOM 398 N VAL A 29 0.040 5.550 -0.721 1.00 0.00 N ATOM 399 CA VAL A 29 -1.370 5.902 -0.612 1.00 0.00 C ATOM 400 C VAL A 29 -2.149 5.435 -1.836 1.00 0.00 C ATOM 401 O VAL A 29 -1.644 5.471 -2.958 1.00 0.00 O ATOM 402 CB VAL A 29 -1.558 7.422 -0.446 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.650 8.180 -1.403 1.00 0.00 C ATOM 404 CG2 VAL A 29 -3.014 7.805 -0.663 1.00 0.00 C ATOM 0 H VAL A 29 0.491 5.877 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.755 5.397 0.274 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.282 7.696 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.797 9.252 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.390 7.928 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.892 7.904 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.129 8.882 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.320 7.518 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.638 7.289 0.067 1.00 0.00 H new ATOM 414 N VAL A 30 -3.384 4.997 -1.613 1.00 0.00 N ATOM 415 CA VAL A 30 -4.235 4.524 -2.699 1.00 0.00 C ATOM 416 C VAL A 30 -5.651 5.076 -2.568 1.00 0.00 C ATOM 417 O VAL A 30 -6.029 5.598 -1.519 1.00 0.00 O ATOM 418 CB VAL A 30 -4.297 2.986 -2.734 1.00 0.00 C ATOM 419 CG1 VAL A 30 -3.020 2.414 -3.329 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.540 2.430 -1.339 1.00 0.00 C ATOM 0 H VAL A 30 -3.818 4.960 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.792 4.884 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.131 2.688 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.082 1.326 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.894 2.786 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.167 2.720 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.581 1.342 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.729 2.736 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.485 2.813 -0.954 1.00 0.00 H new ATOM 430 N GLU A 31 -6.428 4.955 -3.639 1.00 0.00 N ATOM 431 CA GLU A 31 -7.803 5.442 -3.643 1.00 0.00 C ATOM 432 C GLU A 31 -8.774 4.327 -4.019 1.00 0.00 C ATOM 433 O GLU A 31 -8.419 3.397 -4.745 1.00 0.00 O ATOM 434 CB GLU A 31 -7.950 6.612 -4.618 1.00 0.00 C ATOM 435 CG GLU A 31 -9.153 7.495 -4.332 1.00 0.00 C ATOM 436 CD GLU A 31 -9.326 8.596 -5.360 1.00 0.00 C ATOM 437 OE1 GLU A 31 -8.322 8.972 -6.001 1.00 0.00 O ATOM 438 OE2 GLU A 31 -10.464 9.082 -5.524 1.00 0.00 O ATOM 0 H GLU A 31 -6.130 4.525 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.043 5.785 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.046 7.220 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.030 6.221 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.053 6.880 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.045 7.940 -3.343 1.00 0.00 H new ATOM 445 N LEU A 32 -10.002 4.427 -3.520 1.00 0.00 N ATOM 446 CA LEU A 32 -11.026 3.427 -3.803 1.00 0.00 C ATOM 447 C LEU A 32 -12.328 4.090 -4.241 1.00 0.00 C ATOM 448 O LEU A 32 -12.883 4.923 -3.525 1.00 0.00 O ATOM 449 CB LEU A 32 -11.272 2.558 -2.568 1.00 0.00 C ATOM 450 CG LEU A 32 -10.025 2.030 -1.859 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.299 1.827 -0.377 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.558 0.731 -2.499 1.00 0.00 C ATOM 0 H LEU A 32 -10.312 5.190 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.669 2.797 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.855 3.137 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.885 1.707 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.231 2.770 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.400 1.451 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.586 2.777 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.108 1.107 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.669 0.369 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.349 -0.015 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.321 0.907 -3.548 1.00 0.00 H new ATOM 464 N ALA A 33 -12.810 3.713 -5.420 1.00 0.00 N ATOM 465 CA ALA A 33 -14.049 4.267 -5.951 1.00 0.00 C ATOM 466 C ALA A 33 -15.140 4.294 -4.886 1.00 0.00 C ATOM 467 O ALA A 33 -16.025 5.150 -4.911 1.00 0.00 O ATOM 468 CB ALA A 33 -14.509 3.467 -7.161 1.00 0.00 C ATOM 0 H ALA A 33 -12.361 3.026 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.855 5.294 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.435 3.892 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.742 3.504 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.679 2.431 -6.869 1.00 0.00 H new ATOM 474 N ASP A 34 -15.071 3.352 -3.952 1.00 0.00 N ATOM 475 CA ASP A 34 -16.053 3.268 -2.877 1.00 0.00 C ATOM 476 C ASP A 34 -15.416 2.729 -1.600 1.00 0.00 C ATOM 477 O ASP A 34 -14.569 1.836 -1.629 1.00 0.00 O ATOM 478 CB ASP A 34 -17.223 2.375 -3.295 1.00 0.00 C ATOM 479 CG ASP A 34 -18.239 3.111 -4.145 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.942 3.990 -3.603 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.330 2.810 -5.354 1.00 0.00 O ATOM 0 H ASP A 34 -14.345 2.636 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.426 4.273 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.842 1.518 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.714 1.984 -2.404 1.00 0.00 H new ATOM 486 N PRO A 35 -15.831 3.284 -0.452 1.00 0.00 N ATOM 487 CA PRO A 35 -15.314 2.875 0.857 1.00 0.00 C ATOM 488 C PRO A 35 -15.776 1.476 1.252 1.00 0.00 C ATOM 489 O PRO A 35 -15.087 0.768 1.986 1.00 0.00 O ATOM 490 CB PRO A 35 -15.898 3.920 1.812 1.00 0.00 C ATOM 491 CG PRO A 35 -17.130 4.408 1.131 1.00 0.00 C ATOM 492 CD PRO A 35 -16.838 4.353 -0.343 1.00 0.00 C ATOM 0 HA PRO A 35 -14.225 2.828 0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.129 3.483 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.194 4.733 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -17.988 3.784 1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.372 5.424 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.733 4.123 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.456 5.304 -0.713 1.00 0.00 H new ATOM 500 N LYS A 36 -16.946 1.084 0.761 1.00 0.00 N ATOM 501 CA LYS A 36 -17.501 -0.231 1.060 1.00 0.00 C ATOM 502 C LYS A 36 -16.457 -1.323 0.847 1.00 0.00 C ATOM 503 O LYS A 36 -16.426 -2.316 1.574 1.00 0.00 O ATOM 504 CB LYS A 36 -18.725 -0.503 0.183 1.00 0.00 C ATOM 505 CG LYS A 36 -19.758 -1.400 0.843 1.00 0.00 C ATOM 506 CD LYS A 36 -21.010 -1.529 -0.009 1.00 0.00 C ATOM 507 CE LYS A 36 -22.102 -2.298 0.718 1.00 0.00 C ATOM 508 NZ LYS A 36 -22.590 -1.566 1.920 1.00 0.00 N ATOM 0 H LYS A 36 -17.529 1.659 0.153 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.803 -0.240 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.193 0.446 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.399 -0.964 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.329 -2.387 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.022 -0.995 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.376 -0.537 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.766 -2.037 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.935 -2.476 0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.721 -3.274 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.496 -1.972 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.892 -1.653 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.723 -0.562 1.685 1.00 0.00 H new ATOM 522 N LEU A 37 -15.603 -1.131 -0.153 1.00 0.00 N ATOM 523 CA LEU A 37 -14.556 -2.099 -0.461 1.00 0.00 C ATOM 524 C LEU A 37 -13.509 -2.139 0.647 1.00 0.00 C ATOM 525 O LEU A 37 -13.328 -1.166 1.378 1.00 0.00 O ATOM 526 CB LEU A 37 -13.892 -1.755 -1.795 1.00 0.00 C ATOM 527 CG LEU A 37 -14.833 -1.577 -2.987 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.110 -0.898 -4.141 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.398 -2.920 -3.425 1.00 0.00 C ATOM 0 H LEU A 37 -15.615 -0.314 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.016 -3.084 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.322 -0.835 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.178 -2.542 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.662 -0.940 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.795 -0.780 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.755 0.082 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.261 -1.509 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.066 -2.774 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.581 -3.581 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.952 -3.368 -2.600 1.00 0.00 H new ATOM 541 N GLU A 38 -12.820 -3.270 0.763 1.00 0.00 N ATOM 542 CA GLU A 38 -11.789 -3.436 1.781 1.00 0.00 C ATOM 543 C GLU A 38 -10.396 -3.310 1.170 1.00 0.00 C ATOM 544 O GLU A 38 -10.203 -3.561 -0.020 1.00 0.00 O ATOM 545 CB GLU A 38 -11.935 -4.794 2.470 1.00 0.00 C ATOM 546 CG GLU A 38 -11.460 -4.798 3.913 1.00 0.00 C ATOM 547 CD GLU A 38 -12.127 -5.877 4.744 1.00 0.00 C ATOM 548 OE1 GLU A 38 -12.346 -6.985 4.210 1.00 0.00 O ATOM 549 OE2 GLU A 38 -12.430 -5.614 5.926 1.00 0.00 O ATOM 0 H GLU A 38 -12.957 -4.085 0.165 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.915 -2.646 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.982 -5.097 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.371 -5.539 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.380 -4.943 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.660 -3.824 4.360 1.00 0.00 H new ATOM 556 N VAL A 39 -9.429 -2.918 1.993 1.00 0.00 N ATOM 557 CA VAL A 39 -8.053 -2.759 1.535 1.00 0.00 C ATOM 558 C VAL A 39 -7.107 -3.665 2.314 1.00 0.00 C ATOM 559 O VAL A 39 -7.247 -3.834 3.526 1.00 0.00 O ATOM 560 CB VAL A 39 -7.581 -1.300 1.675 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.390 -0.387 0.767 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.677 -0.846 3.124 1.00 0.00 C ATOM 0 H VAL A 39 -9.572 -2.705 2.980 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.035 -3.040 0.482 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.536 -1.244 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.042 0.640 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.265 -0.701 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.444 -0.445 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.339 0.187 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.712 -0.917 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.049 -1.483 3.747 1.00 0.00 H new ATOM 572 N LYS A 40 -6.141 -4.247 1.611 1.00 0.00 N ATOM 573 CA LYS A 40 -5.168 -5.135 2.235 1.00 0.00 C ATOM 574 C LYS A 40 -3.784 -4.942 1.625 1.00 0.00 C ATOM 575 O LYS A 40 -3.608 -5.061 0.412 1.00 0.00 O ATOM 576 CB LYS A 40 -5.605 -6.594 2.081 1.00 0.00 C ATOM 577 CG LYS A 40 -6.741 -6.990 3.009 1.00 0.00 C ATOM 578 CD LYS A 40 -7.097 -8.459 2.858 1.00 0.00 C ATOM 579 CE LYS A 40 -8.411 -8.788 3.551 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.688 -10.251 3.549 1.00 0.00 N ATOM 0 H LYS A 40 -6.011 -4.119 0.607 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.116 -4.887 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.913 -6.765 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.750 -7.243 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.456 -6.788 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.617 -6.378 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.170 -8.710 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.300 -9.073 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.380 -8.426 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.226 -8.263 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.592 -10.434 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.743 -10.593 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.923 -10.750 4.047 1.00 0.00 H new ATOM 594 N TRP A 41 -2.805 -4.644 2.472 1.00 0.00 N ATOM 595 CA TRP A 41 -1.436 -4.435 2.015 1.00 0.00 C ATOM 596 C TRP A 41 -0.609 -5.705 2.175 1.00 0.00 C ATOM 597 O TRP A 41 -0.693 -6.387 3.197 1.00 0.00 O ATOM 598 CB TRP A 41 -0.787 -3.288 2.791 1.00 0.00 C ATOM 599 CG TRP A 41 -1.424 -1.957 2.527 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.599 -1.494 3.046 1.00 0.00 C ATOM 601 CD2 TRP A 41 -0.921 -0.919 1.679 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.857 -0.230 2.571 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.842 0.145 1.732 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.219 -0.784 0.882 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.657 1.326 1.017 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.402 0.388 0.173 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.532 1.431 0.245 1.00 0.00 C ATOM 0 H TRP A 41 -2.934 -4.542 3.479 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.468 -4.176 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.842 -3.504 3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.270 -3.235 2.531 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.232 -2.040 3.729 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.672 0.336 2.805 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.944 -1.582 0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.376 2.130 1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.279 0.502 -0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.360 2.335 -0.320 1.00 0.00 H new ATOM 618 N TYR A 42 0.190 -6.018 1.161 1.00 0.00 N ATOM 619 CA TYR A 42 1.030 -7.209 1.189 1.00 0.00 C ATOM 620 C TYR A 42 2.463 -6.874 0.785 1.00 0.00 C ATOM 621 O TYR A 42 2.701 -5.961 -0.007 1.00 0.00 O ATOM 622 CB TYR A 42 0.463 -8.282 0.257 1.00 0.00 C ATOM 623 CG TYR A 42 -0.928 -8.738 0.635 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.042 -7.971 0.318 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.128 -9.937 1.308 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.315 -8.383 0.662 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.398 -10.358 1.655 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.487 -9.577 1.330 1.00 0.00 C ATOM 629 OH TYR A 42 -4.754 -9.992 1.673 1.00 0.00 O ATOM 0 H TYR A 42 0.274 -5.463 0.309 1.00 0.00 H new ATOM 0 HA TYR A 42 1.039 -7.592 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.445 -7.894 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.132 -9.143 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.911 -7.036 -0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.277 -10.550 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.170 -7.774 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.537 -11.293 2.178 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.702 -10.853 2.137 1.00 0.00 H new ATOM 639 N LYS A 43 3.415 -7.620 1.334 1.00 0.00 N ATOM 640 CA LYS A 43 4.825 -7.407 1.031 1.00 0.00 C ATOM 641 C LYS A 43 5.515 -8.724 0.690 1.00 0.00 C ATOM 642 O LYS A 43 5.796 -9.534 1.572 1.00 0.00 O ATOM 643 CB LYS A 43 5.528 -6.744 2.218 1.00 0.00 C ATOM 644 CG LYS A 43 7.037 -6.660 2.063 1.00 0.00 C ATOM 645 CD LYS A 43 7.735 -6.616 3.412 1.00 0.00 C ATOM 646 CE LYS A 43 9.139 -6.043 3.294 1.00 0.00 C ATOM 647 NZ LYS A 43 9.722 -5.726 4.627 1.00 0.00 N ATOM 0 H LYS A 43 3.235 -8.378 1.992 1.00 0.00 H new ATOM 0 HA LYS A 43 4.888 -6.749 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.128 -5.739 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.295 -7.302 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.394 -7.520 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.296 -5.770 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.151 -6.011 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.785 -7.621 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.780 -6.757 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.113 -5.139 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.204 -4.805 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.964 -5.688 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.407 -6.463 4.891 1.00 0.00 H new ATOM 661 N ASN A 44 5.784 -8.930 -0.595 1.00 0.00 N ATOM 662 CA ASN A 44 6.442 -10.149 -1.052 1.00 0.00 C ATOM 663 C ASN A 44 5.578 -11.373 -0.764 1.00 0.00 C ATOM 664 O ASN A 44 6.067 -12.387 -0.268 1.00 0.00 O ATOM 665 CB ASN A 44 7.806 -10.302 -0.376 1.00 0.00 C ATOM 666 CG ASN A 44 8.656 -11.376 -1.027 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.467 -11.709 -2.197 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.600 -11.923 -0.269 1.00 0.00 N ATOM 0 H ASN A 44 5.557 -8.269 -1.338 1.00 0.00 H new ATOM 0 HA ASN A 44 6.586 -10.073 -2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.336 -9.350 -0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.662 -10.545 0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.204 -12.650 -0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.721 -11.616 0.696 1.00 0.00 H new ATOM 675 N GLY A 45 4.291 -11.271 -1.079 1.00 0.00 N ATOM 676 CA GLY A 45 3.380 -12.376 -0.848 1.00 0.00 C ATOM 677 C GLY A 45 3.168 -12.654 0.627 1.00 0.00 C ATOM 678 O GLY A 45 3.010 -13.806 1.032 1.00 0.00 O ATOM 0 H GLY A 45 3.863 -10.442 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.420 -12.155 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.770 -13.272 -1.331 1.00 0.00 H new ATOM 682 N GLN A 46 3.167 -11.597 1.433 1.00 0.00 N ATOM 683 CA GLN A 46 2.976 -11.733 2.872 1.00 0.00 C ATOM 684 C GLN A 46 2.157 -10.572 3.425 1.00 0.00 C ATOM 685 O GLN A 46 2.518 -9.408 3.253 1.00 0.00 O ATOM 686 CB GLN A 46 4.329 -11.803 3.583 1.00 0.00 C ATOM 687 CG GLN A 46 4.964 -13.183 3.549 1.00 0.00 C ATOM 688 CD GLN A 46 4.491 -14.071 4.683 1.00 0.00 C ATOM 689 OE1 GLN A 46 4.550 -13.690 5.852 1.00 0.00 O ATOM 690 NE2 GLN A 46 4.017 -15.264 4.343 1.00 0.00 N ATOM 0 H GLN A 46 3.296 -10.637 1.114 1.00 0.00 H new ATOM 0 HA GLN A 46 2.429 -12.658 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.010 -11.088 3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.201 -11.497 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.733 -13.662 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.048 -13.081 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.986 -15.540 3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.684 -15.905 5.063 1.00 0.00 H new ATOM 699 N GLU A 47 1.052 -10.897 4.089 1.00 0.00 N ATOM 700 CA GLU A 47 0.181 -9.880 4.666 1.00 0.00 C ATOM 701 C GLU A 47 0.941 -9.018 5.670 1.00 0.00 C ATOM 702 O GLU A 47 1.623 -9.535 6.556 1.00 0.00 O ATOM 703 CB GLU A 47 -1.023 -10.534 5.347 1.00 0.00 C ATOM 704 CG GLU A 47 -2.098 -9.545 5.765 1.00 0.00 C ATOM 705 CD GLU A 47 -3.341 -10.226 6.303 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.199 -11.238 7.021 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.456 -9.749 6.005 1.00 0.00 O ATOM 0 H GLU A 47 0.739 -11.856 4.240 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.172 -9.240 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.460 -11.267 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.680 -11.079 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.696 -8.877 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.369 -8.926 4.910 1.00 0.00 H new ATOM 714 N ILE A 48 0.819 -7.703 5.524 1.00 0.00 N ATOM 715 CA ILE A 48 1.494 -6.770 6.418 1.00 0.00 C ATOM 716 C ILE A 48 0.641 -6.471 7.646 1.00 0.00 C ATOM 717 O ILE A 48 -0.547 -6.172 7.531 1.00 0.00 O ATOM 718 CB ILE A 48 1.827 -5.447 5.703 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.729 -5.707 4.495 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.491 -4.477 6.668 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.890 -4.505 3.591 1.00 0.00 C ATOM 0 H ILE A 48 0.259 -7.260 4.796 1.00 0.00 H new ATOM 0 HA ILE A 48 2.422 -7.248 6.731 1.00 0.00 H new ATOM 0 HB ILE A 48 0.899 -4.999 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.712 -6.021 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.318 -6.534 3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.720 -3.547 6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.816 -4.272 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.413 -4.917 7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.542 -4.762 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.914 -4.203 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.330 -3.682 4.155 1.00 0.00 H new ATOM 733 N ARG A 49 1.257 -6.552 8.821 1.00 0.00 N ATOM 734 CA ARG A 49 0.555 -6.290 10.071 1.00 0.00 C ATOM 735 C ARG A 49 0.803 -4.860 10.544 1.00 0.00 C ATOM 736 O ARG A 49 1.901 -4.319 10.413 1.00 0.00 O ATOM 737 CB ARG A 49 1.000 -7.280 11.149 1.00 0.00 C ATOM 738 CG ARG A 49 2.436 -7.079 11.604 1.00 0.00 C ATOM 739 CD ARG A 49 3.032 -8.366 12.152 1.00 0.00 C ATOM 740 NE ARG A 49 4.290 -8.130 12.857 1.00 0.00 N ATOM 741 CZ ARG A 49 5.018 -9.098 13.403 1.00 0.00 C ATOM 742 NH1 ARG A 49 4.617 -10.359 13.325 1.00 0.00 N ATOM 743 NH2 ARG A 49 6.152 -8.804 14.028 1.00 0.00 N ATOM 0 H ARG A 49 2.241 -6.797 8.933 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.513 -6.415 9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.338 -7.188 12.010 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.887 -8.295 10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.038 -6.726 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.471 -6.305 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.319 -8.836 12.830 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.201 -9.065 11.333 1.00 0.00 H new ATOM 0 HE ARG A 49 4.627 -7.170 12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.747 -10.589 12.845 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.178 -11.100 13.745 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.464 -7.835 14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.711 -9.547 14.447 1.00 0.00 H new ATOM 757 N PRO A 50 -0.240 -4.234 11.108 1.00 0.00 N ATOM 758 CA PRO A 50 -0.160 -2.860 11.613 1.00 0.00 C ATOM 759 C PRO A 50 0.707 -2.750 12.862 1.00 0.00 C ATOM 760 O PRO A 50 0.457 -3.421 13.864 1.00 0.00 O ATOM 761 CB PRO A 50 -1.615 -2.516 11.940 1.00 0.00 C ATOM 762 CG PRO A 50 -2.265 -3.831 12.200 1.00 0.00 C ATOM 763 CD PRO A 50 -1.578 -4.819 11.298 1.00 0.00 C ATOM 0 HA PRO A 50 0.299 -2.187 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.682 -1.862 12.810 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.094 -1.994 11.112 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.159 -4.119 13.246 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.333 -3.787 11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.523 -5.808 11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.105 -4.933 10.351 1.00 0.00 H new ATOM 771 N SER A 51 1.727 -1.901 12.797 1.00 0.00 N ATOM 772 CA SER A 51 2.633 -1.706 13.923 1.00 0.00 C ATOM 773 C SER A 51 3.382 -0.383 13.795 1.00 0.00 C ATOM 774 O SER A 51 3.283 0.305 12.779 1.00 0.00 O ATOM 775 CB SER A 51 3.631 -2.863 14.007 1.00 0.00 C ATOM 776 OG SER A 51 4.123 -3.017 15.328 1.00 0.00 O ATOM 0 H SER A 51 1.947 -1.337 11.976 1.00 0.00 H new ATOM 0 HA SER A 51 2.038 -1.680 14.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.150 -3.787 13.685 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.462 -2.681 13.325 1.00 0.00 H new ATOM 0 HG SER A 51 4.757 -3.763 15.356 1.00 0.00 H new ATOM 782 N THR A 52 4.132 -0.032 14.836 1.00 0.00 N ATOM 783 CA THR A 52 4.897 1.209 14.842 1.00 0.00 C ATOM 784 C THR A 52 5.639 1.404 13.525 1.00 0.00 C ATOM 785 O THR A 52 5.844 2.533 13.078 1.00 0.00 O ATOM 786 CB THR A 52 5.913 1.236 16.000 1.00 0.00 C ATOM 787 OG1 THR A 52 6.679 0.026 16.008 1.00 0.00 O ATOM 788 CG2 THR A 52 5.206 1.404 17.336 1.00 0.00 C ATOM 0 H THR A 52 4.226 -0.590 15.685 1.00 0.00 H new ATOM 0 HA THR A 52 4.182 2.021 14.976 1.00 0.00 H new ATOM 0 HB THR A 52 6.579 2.086 15.850 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.324 0.052 16.746 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.944 1.420 18.138 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.648 2.340 17.337 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.519 0.572 17.491 1.00 0.00 H new ATOM 796 N LYS A 53 6.039 0.298 12.907 1.00 0.00 N ATOM 797 CA LYS A 53 6.757 0.347 11.639 1.00 0.00 C ATOM 798 C LYS A 53 5.816 0.706 10.494 1.00 0.00 C ATOM 799 O LYS A 53 6.133 1.553 9.659 1.00 0.00 O ATOM 800 CB LYS A 53 7.430 -0.998 11.358 1.00 0.00 C ATOM 801 CG LYS A 53 8.589 -0.907 10.381 1.00 0.00 C ATOM 802 CD LYS A 53 9.453 -2.156 10.421 1.00 0.00 C ATOM 803 CE LYS A 53 8.904 -3.243 9.510 1.00 0.00 C ATOM 804 NZ LYS A 53 9.239 -4.606 10.008 1.00 0.00 N ATOM 0 H LYS A 53 5.878 -0.644 13.264 1.00 0.00 H new ATOM 0 HA LYS A 53 7.522 1.120 11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.790 -1.418 12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.687 -1.691 10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.204 -0.762 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.198 -0.035 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.470 -1.906 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.507 -2.530 11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.822 -3.140 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.308 -3.114 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.847 -5.319 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.272 -4.713 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.832 -4.739 10.956 1.00 0.00 H new ATOM 818 N TYR A 54 4.657 0.057 10.462 1.00 0.00 N ATOM 819 CA TYR A 54 3.670 0.307 9.419 1.00 0.00 C ATOM 820 C TYR A 54 2.546 1.201 9.935 1.00 0.00 C ATOM 821 O TYR A 54 1.786 0.812 10.822 1.00 0.00 O ATOM 822 CB TYR A 54 3.091 -1.013 8.908 1.00 0.00 C ATOM 823 CG TYR A 54 4.140 -1.978 8.403 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.696 -1.831 7.138 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.574 -3.038 9.189 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.654 -2.710 6.672 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.532 -3.922 8.732 1.00 0.00 C ATOM 828 CZ TYR A 54 6.069 -3.754 7.473 1.00 0.00 C ATOM 829 OH TYR A 54 7.023 -4.632 7.013 1.00 0.00 O ATOM 0 H TYR A 54 4.378 -0.646 11.147 1.00 0.00 H new ATOM 0 HA TYR A 54 4.170 0.820 8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.528 -1.489 9.711 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.385 -0.804 8.105 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.373 -1.015 6.508 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.155 -3.173 10.175 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.076 -2.581 5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.859 -4.740 9.357 1.00 0.00 H new ATOM 0 HH TYR A 54 7.204 -5.308 7.699 1.00 0.00 H new ATOM 839 N ILE A 55 2.448 2.401 9.372 1.00 0.00 N ATOM 840 CA ILE A 55 1.417 3.350 9.773 1.00 0.00 C ATOM 841 C ILE A 55 0.211 3.277 8.843 1.00 0.00 C ATOM 842 O ILE A 55 0.257 3.758 7.711 1.00 0.00 O ATOM 843 CB ILE A 55 1.955 4.793 9.786 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.405 4.816 10.274 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.081 5.677 10.663 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.556 4.464 11.737 1.00 0.00 C ATOM 0 H ILE A 55 3.070 2.739 8.637 1.00 0.00 H new ATOM 0 HA ILE A 55 1.111 3.076 10.783 1.00 0.00 H new ATOM 0 HB ILE A 55 1.928 5.184 8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.991 4.117 9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.822 5.808 10.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.475 6.693 10.662 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.063 5.682 10.275 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.079 5.290 11.682 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.610 4.500 12.013 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.997 5.178 12.342 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.170 3.460 11.911 1.00 0.00 H new ATOM 858 N PHE A 56 -0.869 2.674 9.329 1.00 0.00 N ATOM 859 CA PHE A 56 -2.089 2.539 8.542 1.00 0.00 C ATOM 860 C PHE A 56 -3.054 3.684 8.834 1.00 0.00 C ATOM 861 O PHE A 56 -3.549 3.822 9.952 1.00 0.00 O ATOM 862 CB PHE A 56 -2.766 1.199 8.838 1.00 0.00 C ATOM 863 CG PHE A 56 -2.033 0.018 8.267 1.00 0.00 C ATOM 864 CD1 PHE A 56 -0.885 -0.462 8.876 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.491 -0.610 7.120 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.209 -1.549 8.354 1.00 0.00 C ATOM 867 CE2 PHE A 56 -1.819 -1.696 6.593 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.676 -2.166 7.210 1.00 0.00 C ATOM 0 H PHE A 56 -0.924 2.271 10.264 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.817 2.576 7.487 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.853 1.075 9.917 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.779 1.216 8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.514 0.019 9.769 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.383 -0.246 6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.683 -1.915 8.840 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.187 -2.177 5.699 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.149 -3.014 6.799 1.00 0.00 H new ATOM 878 N GLU A 57 -3.315 4.503 7.820 1.00 0.00 N ATOM 879 CA GLU A 57 -4.220 5.637 7.968 1.00 0.00 C ATOM 880 C GLU A 57 -5.348 5.570 6.942 1.00 0.00 C ATOM 881 O GLU A 57 -5.110 5.629 5.736 1.00 0.00 O ATOM 882 CB GLU A 57 -3.454 6.952 7.814 1.00 0.00 C ATOM 883 CG GLU A 57 -2.732 7.387 9.079 1.00 0.00 C ATOM 884 CD GLU A 57 -2.170 8.792 8.976 1.00 0.00 C ATOM 885 OE1 GLU A 57 -2.943 9.719 8.659 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.955 8.963 9.213 1.00 0.00 O ATOM 0 H GLU A 57 -2.913 4.403 6.888 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.656 5.593 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.727 6.847 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.150 7.736 7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.421 7.336 9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.921 6.690 9.288 1.00 0.00 H new ATOM 893 N HIS A 58 -6.578 5.447 7.432 1.00 0.00 N ATOM 894 CA HIS A 58 -7.744 5.372 6.559 1.00 0.00 C ATOM 895 C HIS A 58 -8.495 6.700 6.540 1.00 0.00 C ATOM 896 O HIS A 58 -8.894 7.215 7.585 1.00 0.00 O ATOM 897 CB HIS A 58 -8.679 4.251 7.016 1.00 0.00 C ATOM 898 CG HIS A 58 -9.929 4.144 6.199 1.00 0.00 C ATOM 899 ND1 HIS A 58 -11.172 3.914 6.751 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.125 4.239 4.863 1.00 0.00 C ATOM 901 CE1 HIS A 58 -12.077 3.870 5.790 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.468 4.065 4.635 1.00 0.00 N ATOM 0 H HIS A 58 -6.793 5.397 8.428 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.397 5.156 5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.144 3.302 6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.949 4.417 8.059 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.366 4.418 4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.135 3.703 5.926 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.921 4.083 3.722 1.00 0.00 H new ATOM 911 N LYS A 59 -8.684 7.251 5.346 1.00 0.00 N ATOM 912 CA LYS A 59 -9.387 8.519 5.190 1.00 0.00 C ATOM 913 C LYS A 59 -10.454 8.420 4.105 1.00 0.00 C ATOM 914 O LYS A 59 -10.207 8.749 2.945 1.00 0.00 O ATOM 915 CB LYS A 59 -8.397 9.635 4.847 1.00 0.00 C ATOM 916 CG LYS A 59 -7.265 9.774 5.849 1.00 0.00 C ATOM 917 CD LYS A 59 -7.704 10.542 7.084 1.00 0.00 C ATOM 918 CE LYS A 59 -7.676 12.044 6.846 1.00 0.00 C ATOM 919 NZ LYS A 59 -8.324 12.794 7.957 1.00 0.00 N ATOM 0 H LYS A 59 -8.360 6.839 4.471 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.877 8.753 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.976 9.444 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.935 10.581 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.913 8.785 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.424 10.286 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.712 10.236 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.050 10.293 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.643 12.375 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.184 12.273 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.284 13.814 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.317 12.497 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.824 12.596 8.847 1.00 0.00 H new ATOM 933 N GLY A 60 -11.642 7.964 4.489 1.00 0.00 N ATOM 934 CA GLY A 60 -12.729 7.831 3.537 1.00 0.00 C ATOM 935 C GLY A 60 -12.403 6.865 2.415 1.00 0.00 C ATOM 936 O GLY A 60 -12.403 5.649 2.614 1.00 0.00 O ATOM 0 H GLY A 60 -11.871 7.684 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.624 7.490 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.959 8.809 3.115 1.00 0.00 H new ATOM 940 N CYS A 61 -12.125 7.405 1.234 1.00 0.00 N ATOM 941 CA CYS A 61 -11.797 6.582 0.075 1.00 0.00 C ATOM 942 C CYS A 61 -10.305 6.647 -0.234 1.00 0.00 C ATOM 943 O CYS A 61 -9.905 6.700 -1.397 1.00 0.00 O ATOM 944 CB CYS A 61 -12.604 7.035 -1.143 1.00 0.00 C ATOM 945 SG CYS A 61 -12.629 8.827 -1.385 1.00 0.00 S ATOM 0 H CYS A 61 -12.120 8.409 1.053 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.055 5.549 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.191 6.564 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.629 6.678 -1.040 1.00 0.00 H new ATOM 0 HG CYS A 61 -13.333 9.113 -2.440 1.00 0.00 H new ATOM 951 N GLN A 62 -9.488 6.646 0.814 1.00 0.00 N ATOM 952 CA GLN A 62 -8.040 6.707 0.654 1.00 0.00 C ATOM 953 C GLN A 62 -7.335 5.972 1.788 1.00 0.00 C ATOM 954 O GLN A 62 -7.672 6.147 2.959 1.00 0.00 O ATOM 955 CB GLN A 62 -7.573 8.163 0.605 1.00 0.00 C ATOM 956 CG GLN A 62 -6.094 8.317 0.292 1.00 0.00 C ATOM 957 CD GLN A 62 -5.545 9.665 0.714 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.609 9.952 2.009 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 -5.068 10.442 -0.114 1.00 0.00 N flip ATOM 0 H GLN A 62 -9.804 6.604 1.783 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.782 6.218 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.153 8.697 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.784 8.636 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.536 7.528 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.937 8.184 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.038 10.182 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.703 11.346 0.186 1.00 0.00 H new ATOM 968 N ARG A 63 -6.355 5.147 1.433 1.00 0.00 N ATOM 969 CA ARG A 63 -5.603 4.384 2.422 1.00 0.00 C ATOM 970 C ARG A 63 -4.105 4.639 2.282 1.00 0.00 C ATOM 971 O ARG A 63 -3.498 4.287 1.270 1.00 0.00 O ATOM 972 CB ARG A 63 -5.893 2.889 2.271 1.00 0.00 C ATOM 973 CG ARG A 63 -7.183 2.448 2.942 1.00 0.00 C ATOM 974 CD ARG A 63 -6.948 2.043 4.389 1.00 0.00 C ATOM 975 NE ARG A 63 -8.172 1.571 5.031 1.00 0.00 N ATOM 976 CZ ARG A 63 -8.191 0.920 6.189 1.00 0.00 C ATOM 977 NH1 ARG A 63 -7.058 0.666 6.829 1.00 0.00 N ATOM 978 NH2 ARG A 63 -9.345 0.523 6.709 1.00 0.00 N ATOM 0 H ARG A 63 -6.063 4.990 0.468 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.918 4.711 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.942 2.642 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.062 2.322 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.910 3.259 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.612 1.609 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.193 1.258 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.552 2.894 4.944 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.061 1.751 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.169 0.971 6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.075 0.166 7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.219 0.717 6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.359 0.023 7.598 1.00 0.00 H new ATOM 992 N ILE A 64 -3.517 5.253 3.302 1.00 0.00 N ATOM 993 CA ILE A 64 -2.091 5.555 3.293 1.00 0.00 C ATOM 994 C ILE A 64 -1.304 4.514 4.081 1.00 0.00 C ATOM 995 O ILE A 64 -1.834 3.878 4.993 1.00 0.00 O ATOM 996 CB ILE A 64 -1.807 6.950 3.880 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.828 7.964 3.359 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.392 7.391 3.536 1.00 0.00 C ATOM 999 CD1 ILE A 64 -4.061 8.079 4.227 1.00 0.00 C ATOM 0 H ILE A 64 -4.006 5.551 4.146 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.771 5.537 2.251 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.897 6.897 4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.352 8.942 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.129 7.680 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.206 8.379 3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.322 6.679 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.277 7.431 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.741 8.815 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.560 7.112 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.772 8.393 5.230 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.034 4.347 3.726 1.00 0.00 N ATOM 1012 CA LEU A 65 0.828 3.384 4.402 1.00 0.00 C ATOM 1013 C LEU A 65 2.268 3.884 4.452 1.00 0.00 C ATOM 1014 O LEU A 65 2.845 4.252 3.428 1.00 0.00 O ATOM 1015 CB LEU A 65 0.771 2.031 3.691 1.00 0.00 C ATOM 1016 CG LEU A 65 1.645 0.924 4.282 1.00 0.00 C ATOM 1017 CD1 LEU A 65 3.119 1.270 4.131 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.296 0.693 5.745 1.00 0.00 C ATOM 0 H LEU A 65 0.421 4.866 2.975 1.00 0.00 H new ATOM 0 HA LEU A 65 0.468 3.266 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.263 1.687 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.060 2.178 2.650 1.00 0.00 H new ATOM 0 HG LEU A 65 1.451 0.002 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.726 0.471 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.360 1.384 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.329 2.203 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.928 -0.098 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.460 1.612 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.250 0.399 5.827 1.00 0.00 H new ATOM 1030 N PHE A 66 2.845 3.894 5.650 1.00 0.00 N ATOM 1031 CA PHE A 66 4.218 4.348 5.833 1.00 0.00 C ATOM 1032 C PHE A 66 5.088 3.233 6.406 1.00 0.00 C ATOM 1033 O PHE A 66 4.694 2.547 7.351 1.00 0.00 O ATOM 1034 CB PHE A 66 4.256 5.566 6.759 1.00 0.00 C ATOM 1035 CG PHE A 66 3.666 6.803 6.145 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.433 7.625 5.335 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.344 7.145 6.378 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.893 8.764 4.770 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.798 8.284 5.816 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.573 9.094 5.010 1.00 0.00 C ATOM 0 H PHE A 66 2.383 3.593 6.508 1.00 0.00 H new ATOM 0 HA PHE A 66 4.614 4.629 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.716 5.332 7.676 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.290 5.767 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.465 7.372 5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.733 6.514 7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.502 9.396 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.766 8.540 6.007 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.148 9.983 4.568 1.00 0.00 H new ATOM 1050 N ILE A 67 6.271 3.057 5.828 1.00 0.00 N ATOM 1051 CA ILE A 67 7.196 2.025 6.280 1.00 0.00 C ATOM 1052 C ILE A 67 8.501 2.638 6.778 1.00 0.00 C ATOM 1053 O ILE A 67 9.298 3.148 5.992 1.00 0.00 O ATOM 1054 CB ILE A 67 7.510 1.019 5.158 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.214 0.469 4.559 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.377 -0.113 5.689 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.428 -0.361 3.313 1.00 0.00 C ATOM 0 H ILE A 67 6.612 3.616 5.046 1.00 0.00 H new ATOM 0 HA ILE A 67 6.707 1.500 7.100 1.00 0.00 H new ATOM 0 HB ILE A 67 8.061 1.534 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.707 -0.139 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.551 1.301 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.590 -0.816 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.312 0.294 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.850 -0.629 6.491 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.466 -0.718 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.907 0.249 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.065 -1.214 3.549 1.00 0.00 H new ATOM 1069 N ASN A 68 8.712 2.582 8.089 1.00 0.00 N ATOM 1070 CA ASN A 68 9.922 3.130 8.692 1.00 0.00 C ATOM 1071 C ASN A 68 11.081 2.144 8.580 1.00 0.00 C ATOM 1072 O ASN A 68 10.873 0.945 8.404 1.00 0.00 O ATOM 1073 CB ASN A 68 9.672 3.476 10.162 1.00 0.00 C ATOM 1074 CG ASN A 68 8.905 4.773 10.328 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.486 5.858 10.308 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.591 4.666 10.495 1.00 0.00 N ATOM 0 H ASN A 68 8.062 2.163 8.754 1.00 0.00 H new ATOM 0 HA ASN A 68 10.188 4.038 8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.116 2.666 10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.627 3.553 10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.022 5.504 10.613 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.151 3.746 10.505 1.00 0.00 H new ATOM 1083 N ASN A 69 12.301 2.660 8.683 1.00 0.00 N ATOM 1084 CA ASN A 69 13.494 1.826 8.593 1.00 0.00 C ATOM 1085 C ASN A 69 13.586 1.154 7.226 1.00 0.00 C ATOM 1086 O ASN A 69 13.743 -0.064 7.131 1.00 0.00 O ATOM 1087 CB ASN A 69 13.483 0.764 9.695 1.00 0.00 C ATOM 1088 CG ASN A 69 13.806 1.344 11.059 1.00 0.00 C ATOM 1089 OD1 ASN A 69 13.753 2.558 11.258 1.00 0.00 O ATOM 1090 ND2 ASN A 69 14.143 0.476 12.006 1.00 0.00 N ATOM 0 H ASN A 69 12.490 3.652 8.829 1.00 0.00 H new ATOM 0 HA ASN A 69 14.366 2.467 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.503 0.289 9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.207 -0.014 9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.371 0.807 12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.174 -0.522 11.796 1.00 0.00 H new ATOM 1097 N CYS A 70 13.488 1.956 6.172 1.00 0.00 N ATOM 1098 CA CYS A 70 13.560 1.440 4.809 1.00 0.00 C ATOM 1099 C CYS A 70 14.979 0.994 4.471 1.00 0.00 C ATOM 1100 O CYS A 70 15.851 1.820 4.200 1.00 0.00 O ATOM 1101 CB CYS A 70 13.096 2.504 3.813 1.00 0.00 C ATOM 1102 SG CYS A 70 11.378 3.022 4.034 1.00 0.00 S ATOM 0 H CYS A 70 13.359 2.966 6.234 1.00 0.00 H new ATOM 0 HA CYS A 70 12.900 0.575 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.742 3.377 3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.221 2.118 2.801 1.00 0.00 H new ATOM 0 HG CYS A 70 10.987 2.725 5.238 1.00 0.00 H new ATOM 1108 N GLN A 71 15.203 -0.316 4.491 1.00 0.00 N ATOM 1109 CA GLN A 71 16.517 -0.870 4.189 1.00 0.00 C ATOM 1110 C GLN A 71 16.442 -1.839 3.014 1.00 0.00 C ATOM 1111 O GLN A 71 15.358 -2.262 2.614 1.00 0.00 O ATOM 1112 CB GLN A 71 17.088 -1.582 5.417 1.00 0.00 C ATOM 1113 CG GLN A 71 18.608 -1.627 5.442 1.00 0.00 C ATOM 1114 CD GLN A 71 19.169 -1.593 6.850 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.754 -2.569 7.321 1.00 0.00 O ATOM 1116 NE2 GLN A 71 18.994 -0.466 7.530 1.00 0.00 N ATOM 0 H GLN A 71 14.492 -1.013 4.713 1.00 0.00 H new ATOM 0 HA GLN A 71 17.177 -0.047 3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.733 -1.079 6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.702 -2.601 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.949 -2.533 4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.002 -0.782 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.503 0.318 7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.351 -0.384 8.482 1.00 0.00 H new ATOM 1125 N MET A 72 17.601 -2.186 2.464 1.00 0.00 N ATOM 1126 CA MET A 72 17.666 -3.107 1.335 1.00 0.00 C ATOM 1127 C MET A 72 16.830 -4.354 1.602 1.00 0.00 C ATOM 1128 O MET A 72 16.229 -4.920 0.687 1.00 0.00 O ATOM 1129 CB MET A 72 19.117 -3.501 1.053 1.00 0.00 C ATOM 1130 CG MET A 72 19.897 -2.443 0.291 1.00 0.00 C ATOM 1131 SD MET A 72 19.477 -2.399 -1.462 1.00 0.00 S ATOM 1132 CE MET A 72 20.448 -0.996 -2.008 1.00 0.00 C ATOM 0 H MET A 72 18.508 -1.843 2.782 1.00 0.00 H new ATOM 0 HA MET A 72 17.259 -2.599 0.460 1.00 0.00 H new ATOM 0 HB2 MET A 72 19.621 -3.701 1.999 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.128 -4.430 0.483 1.00 0.00 H new ATOM 0 HG2 MET A 72 19.702 -1.465 0.732 1.00 0.00 H new ATOM 0 HG3 MET A 72 20.964 -2.635 0.400 1.00 0.00 H new ATOM 0 HE1 MET A 72 20.253 -0.808 -3.064 1.00 0.00 H new ATOM 0 HE2 MET A 72 20.175 -0.116 -1.426 1.00 0.00 H new ATOM 0 HE3 MET A 72 21.507 -1.210 -1.867 1.00 0.00 H new ATOM 1142 N THR A 73 16.796 -4.780 2.860 1.00 0.00 N ATOM 1143 CA THR A 73 16.035 -5.962 3.247 1.00 0.00 C ATOM 1144 C THR A 73 14.535 -5.707 3.147 1.00 0.00 C ATOM 1145 O THR A 73 13.751 -6.633 2.938 1.00 0.00 O ATOM 1146 CB THR A 73 16.375 -6.404 4.683 1.00 0.00 C ATOM 1147 OG1 THR A 73 16.335 -5.276 5.565 1.00 0.00 O ATOM 1148 CG2 THR A 73 17.751 -7.050 4.739 1.00 0.00 C ATOM 0 H THR A 73 17.287 -4.324 3.629 1.00 0.00 H new ATOM 0 HA THR A 73 16.312 -6.757 2.555 1.00 0.00 H new ATOM 0 HB THR A 73 15.634 -7.138 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.551 -5.565 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.969 -7.354 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.769 -7.925 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.503 -6.335 4.405 1.00 0.00 H new ATOM 1156 N ASP A 74 14.143 -4.447 3.297 1.00 0.00 N ATOM 1157 CA ASP A 74 12.736 -4.070 3.221 1.00 0.00 C ATOM 1158 C ASP A 74 12.310 -3.848 1.774 1.00 0.00 C ATOM 1159 O ASP A 74 11.125 -3.918 1.447 1.00 0.00 O ATOM 1160 CB ASP A 74 12.480 -2.805 4.041 1.00 0.00 C ATOM 1161 CG ASP A 74 12.487 -3.070 5.534 1.00 0.00 C ATOM 1162 OD1 ASP A 74 11.603 -3.814 6.007 1.00 0.00 O ATOM 1163 OD2 ASP A 74 13.376 -2.534 6.228 1.00 0.00 O ATOM 0 H ASP A 74 14.779 -3.669 3.472 1.00 0.00 H new ATOM 0 HA ASP A 74 12.144 -4.887 3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.241 -2.062 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.518 -2.379 3.755 1.00 0.00 H new ATOM 1168 N ASP A 75 13.283 -3.579 0.910 1.00 0.00 N ATOM 1169 CA ASP A 75 13.009 -3.347 -0.503 1.00 0.00 C ATOM 1170 C ASP A 75 12.384 -4.581 -1.146 1.00 0.00 C ATOM 1171 O ASP A 75 13.091 -5.465 -1.631 1.00 0.00 O ATOM 1172 CB ASP A 75 14.296 -2.969 -1.238 1.00 0.00 C ATOM 1173 CG ASP A 75 14.298 -3.440 -2.679 1.00 0.00 C ATOM 1174 OD1 ASP A 75 13.234 -3.367 -3.329 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.364 -3.882 -3.157 1.00 0.00 O ATOM 0 H ASP A 75 14.269 -3.516 1.164 1.00 0.00 H new ATOM 0 HA ASP A 75 12.300 -2.522 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.421 -1.887 -1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.150 -3.401 -0.716 1.00 0.00 H new ATOM 1180 N SER A 76 11.056 -4.635 -1.144 1.00 0.00 N ATOM 1181 CA SER A 76 10.337 -5.764 -1.723 1.00 0.00 C ATOM 1182 C SER A 76 9.147 -5.284 -2.548 1.00 0.00 C ATOM 1183 O SER A 76 8.822 -4.097 -2.555 1.00 0.00 O ATOM 1184 CB SER A 76 9.858 -6.710 -0.620 1.00 0.00 C ATOM 1185 OG SER A 76 10.941 -7.438 -0.067 1.00 0.00 O ATOM 0 H SER A 76 10.456 -3.911 -0.748 1.00 0.00 H new ATOM 0 HA SER A 76 11.021 -6.300 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.362 -6.138 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.120 -7.402 -1.025 1.00 0.00 H new ATOM 0 HG SER A 76 10.609 -8.034 0.637 1.00 0.00 H new ATOM 1191 N GLU A 77 8.502 -6.216 -3.243 1.00 0.00 N ATOM 1192 CA GLU A 77 7.349 -5.888 -4.073 1.00 0.00 C ATOM 1193 C GLU A 77 6.079 -5.807 -3.232 1.00 0.00 C ATOM 1194 O GLU A 77 5.772 -6.716 -2.461 1.00 0.00 O ATOM 1195 CB GLU A 77 7.176 -6.931 -5.179 1.00 0.00 C ATOM 1196 CG GLU A 77 6.351 -8.135 -4.756 1.00 0.00 C ATOM 1197 CD GLU A 77 6.672 -9.376 -5.567 1.00 0.00 C ATOM 1198 OE1 GLU A 77 7.844 -9.538 -5.966 1.00 0.00 O ATOM 1199 OE2 GLU A 77 5.750 -10.184 -5.803 1.00 0.00 O ATOM 0 H GLU A 77 8.758 -7.203 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 77 7.526 -4.913 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.701 -6.460 -6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.160 -7.271 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.528 -8.340 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.292 -7.900 -4.862 1.00 0.00 H new ATOM 1206 N TYR A 78 5.344 -4.711 -3.386 1.00 0.00 N ATOM 1207 CA TYR A 78 4.108 -4.508 -2.639 1.00 0.00 C ATOM 1208 C TYR A 78 2.897 -4.553 -3.566 1.00 0.00 C ATOM 1209 O TYR A 78 2.997 -4.236 -4.751 1.00 0.00 O ATOM 1210 CB TYR A 78 4.149 -3.170 -1.898 1.00 0.00 C ATOM 1211 CG TYR A 78 5.323 -3.035 -0.955 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.590 -2.721 -1.433 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.166 -3.222 0.412 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.666 -2.598 -0.575 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.236 -3.099 1.277 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.484 -2.787 0.779 1.00 0.00 C ATOM 1217 OH TYR A 78 8.552 -2.665 1.637 1.00 0.00 O ATOM 0 H TYR A 78 5.583 -3.950 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 78 4.016 -5.315 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.185 -2.361 -2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.225 -3.049 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.736 -2.571 -2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.191 -3.468 0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.644 -2.355 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.096 -3.246 2.338 1.00 0.00 H new ATOM 0 HH TYR A 78 9.297 -3.213 1.312 1.00 0.00 H new ATOM 1227 N TYR A 79 1.754 -4.947 -3.016 1.00 0.00 N ATOM 1228 CA TYR A 79 0.523 -5.036 -3.793 1.00 0.00 C ATOM 1229 C TYR A 79 -0.700 -4.959 -2.885 1.00 0.00 C ATOM 1230 O TYR A 79 -0.802 -5.686 -1.897 1.00 0.00 O ATOM 1231 CB TYR A 79 0.495 -6.337 -4.596 1.00 0.00 C ATOM 1232 CG TYR A 79 0.309 -7.571 -3.743 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.401 -8.233 -3.196 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.960 -8.076 -3.484 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.236 -9.361 -2.417 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.135 -9.203 -2.705 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.034 -9.843 -2.174 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.203 -10.966 -1.397 1.00 0.00 O ATOM 0 H TYR A 79 1.654 -5.210 -2.036 1.00 0.00 H new ATOM 0 HA TYR A 79 0.496 -4.192 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.312 -6.286 -5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.426 -6.429 -5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.397 -7.859 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.824 -7.578 -3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.096 -9.863 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.128 -9.581 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.425 -10.699 -0.480 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.629 -4.071 -3.228 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.847 -3.898 -2.446 1.00 0.00 C ATOM 1250 C VAL A 80 -4.067 -4.400 -3.211 1.00 0.00 C ATOM 1251 O VAL A 80 -4.147 -4.265 -4.433 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.065 -2.422 -2.065 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.372 -1.591 -3.302 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.181 -2.296 -1.039 1.00 0.00 C ATOM 0 H VAL A 80 -1.561 -3.461 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.725 -4.486 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.147 -2.041 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.523 -0.551 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.538 -1.656 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.276 -1.970 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.321 -1.246 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.106 -2.694 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.916 -2.857 -0.143 1.00 0.00 H new ATOM 1264 N THR A 81 -5.017 -4.980 -2.485 1.00 0.00 N ATOM 1265 CA THR A 81 -6.233 -5.503 -3.095 1.00 0.00 C ATOM 1266 C THR A 81 -7.462 -4.741 -2.612 1.00 0.00 C ATOM 1267 O THR A 81 -7.533 -4.330 -1.454 1.00 0.00 O ATOM 1268 CB THR A 81 -6.417 -7.001 -2.785 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.587 -7.193 -1.376 1.00 0.00 O ATOM 1270 CG2 THR A 81 -5.221 -7.805 -3.271 1.00 0.00 C ATOM 0 H THR A 81 -4.968 -5.100 -1.473 1.00 0.00 H new ATOM 0 HA THR A 81 -6.128 -5.372 -4.172 1.00 0.00 H new ATOM 0 HB THR A 81 -7.307 -7.351 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.705 -8.147 -1.188 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.374 -8.859 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.112 -7.681 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.318 -7.452 -2.772 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.427 -4.557 -3.506 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.655 -3.847 -3.169 1.00 0.00 C ATOM 1280 C ALA A 82 -10.812 -4.303 -4.051 1.00 0.00 C ATOM 1281 O ALA A 82 -10.854 -4.000 -5.243 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.449 -2.345 -3.300 1.00 0.00 C ATOM 0 H ALA A 82 -8.383 -4.890 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.908 -4.079 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.374 -1.827 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.656 -2.026 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.169 -2.104 -4.326 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.751 -5.033 -3.457 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.896 -5.520 -4.205 1.00 0.00 C ATOM 1290 C GLY A 83 -12.522 -6.599 -5.201 1.00 0.00 C ATOM 1291 O GLY A 83 -12.144 -7.705 -4.815 1.00 0.00 O ATOM 0 H GLY A 83 -11.740 -5.296 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.639 -5.913 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.361 -4.688 -4.733 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.629 -6.279 -6.485 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.300 -7.231 -7.541 1.00 0.00 C ATOM 1297 C ASP A 84 -11.098 -6.752 -8.348 1.00 0.00 C ATOM 1298 O ASP A 84 -10.855 -7.225 -9.458 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.501 -7.436 -8.465 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.380 -6.204 -8.555 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.062 -5.305 -9.362 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.387 -6.138 -7.819 1.00 0.00 O ATOM 0 H ASP A 84 -12.941 -5.368 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.046 -8.182 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.148 -7.700 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.094 -8.276 -8.104 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.349 -5.810 -7.783 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.173 -5.266 -8.452 1.00 0.00 C ATOM 1309 C GLU A 85 -8.012 -5.113 -7.473 1.00 0.00 C ATOM 1310 O GLU A 85 -8.211 -5.065 -6.259 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.500 -3.913 -9.088 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.469 -4.007 -10.254 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.900 -4.786 -11.424 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.701 -4.611 -11.725 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.653 -5.570 -12.038 1.00 0.00 O ATOM 0 H GLU A 85 -10.536 -5.408 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.876 -5.965 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.922 -3.256 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.575 -3.450 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.390 -4.484 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.732 -3.002 -10.585 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.799 -5.038 -8.010 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.605 -4.890 -7.187 1.00 0.00 C ATOM 1324 C LYS A 86 -4.429 -4.388 -8.019 1.00 0.00 C ATOM 1325 O LYS A 86 -4.370 -4.616 -9.228 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.246 -6.224 -6.529 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.473 -7.162 -7.439 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.877 -8.326 -6.664 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.743 -8.985 -7.433 1.00 0.00 C ATOM 1330 NZ LYS A 86 -1.445 -8.290 -7.211 1.00 0.00 N ATOM 0 H LYS A 86 -6.617 -5.077 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.818 -4.155 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.655 -6.031 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.162 -6.718 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.135 -7.543 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.677 -6.611 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.508 -7.973 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.654 -9.062 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.654 -10.027 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.978 -8.985 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.681 -8.827 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.489 -7.334 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.257 -8.223 -6.190 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.495 -3.707 -7.365 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.320 -3.174 -8.045 1.00 0.00 C ATOM 1346 C CYS A 87 -1.045 -3.530 -7.287 1.00 0.00 C ATOM 1347 O CYS A 87 -1.096 -3.955 -6.132 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.434 -1.656 -8.190 1.00 0.00 C ATOM 1349 SG CYS A 87 -1.589 -0.988 -9.642 1.00 0.00 S ATOM 0 H CYS A 87 -3.528 -3.511 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.269 -3.624 -9.037 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.489 -1.385 -8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.025 -1.185 -7.296 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.785 -0.034 -9.276 1.00 0.00 H new ATOM 1355 N SER A 88 0.097 -3.355 -7.944 1.00 0.00 N ATOM 1356 CA SER A 88 1.385 -3.663 -7.335 1.00 0.00 C ATOM 1357 C SER A 88 2.411 -2.582 -7.657 1.00 0.00 C ATOM 1358 O SER A 88 2.375 -1.974 -8.728 1.00 0.00 O ATOM 1359 CB SER A 88 1.891 -5.023 -7.820 1.00 0.00 C ATOM 1360 OG SER A 88 1.865 -5.101 -9.235 1.00 0.00 O ATOM 0 H SER A 88 0.156 -3.001 -8.899 1.00 0.00 H new ATOM 0 HA SER A 88 1.248 -3.699 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.908 -5.185 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.274 -5.816 -7.397 1.00 0.00 H new ATOM 0 HG SER A 88 2.195 -5.979 -9.520 1.00 0.00 H new ATOM 1366 N THR A 89 3.327 -2.346 -6.723 1.00 0.00 N ATOM 1367 CA THR A 89 4.363 -1.337 -6.905 1.00 0.00 C ATOM 1368 C THR A 89 5.734 -1.883 -6.523 1.00 0.00 C ATOM 1369 O THR A 89 5.848 -2.992 -6.004 1.00 0.00 O ATOM 1370 CB THR A 89 4.073 -0.077 -6.069 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.076 0.916 -6.315 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.036 -0.409 -4.585 1.00 0.00 C ATOM 0 H THR A 89 3.372 -2.841 -5.832 1.00 0.00 H new ATOM 0 HA THR A 89 4.363 -1.070 -7.962 1.00 0.00 H new ATOM 0 HB THR A 89 3.098 0.311 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.057 1.584 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.830 0.497 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.253 -1.143 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.999 -0.819 -4.280 1.00 0.00 H new ATOM 1380 N GLU A 90 6.773 -1.095 -6.784 1.00 0.00 N ATOM 1381 CA GLU A 90 8.137 -1.501 -6.467 1.00 0.00 C ATOM 1382 C GLU A 90 8.827 -0.456 -5.595 1.00 0.00 C ATOM 1383 O GLU A 90 8.650 0.747 -5.790 1.00 0.00 O ATOM 1384 CB GLU A 90 8.940 -1.718 -7.752 1.00 0.00 C ATOM 1385 CG GLU A 90 10.020 -2.779 -7.622 1.00 0.00 C ATOM 1386 CD GLU A 90 10.638 -3.149 -8.957 1.00 0.00 C ATOM 1387 OE1 GLU A 90 10.686 -2.278 -9.850 1.00 0.00 O ATOM 1388 OE2 GLU A 90 11.073 -4.309 -9.107 1.00 0.00 O ATOM 0 H GLU A 90 6.696 -0.173 -7.214 1.00 0.00 H new ATOM 0 HA GLU A 90 8.090 -2.439 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.258 -2.002 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.402 -0.775 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.800 -2.418 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.594 -3.671 -7.163 1.00 0.00 H new ATOM 1395 N LEU A 91 9.613 -0.924 -4.631 1.00 0.00 N ATOM 1396 CA LEU A 91 10.330 -0.031 -3.727 1.00 0.00 C ATOM 1397 C LEU A 91 11.836 -0.128 -3.947 1.00 0.00 C ATOM 1398 O LEU A 91 12.396 -1.223 -4.006 1.00 0.00 O ATOM 1399 CB LEU A 91 9.992 -0.367 -2.274 1.00 0.00 C ATOM 1400 CG LEU A 91 10.462 0.642 -1.225 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.948 0.470 -0.947 1.00 0.00 C ATOM 1402 CD2 LEU A 91 10.164 2.063 -1.681 1.00 0.00 C ATOM 0 H LEU A 91 9.770 -1.916 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 91 10.016 0.991 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.910 -0.473 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.427 -1.338 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 91 9.916 0.456 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.265 1.196 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.135 -0.538 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.511 0.628 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.505 2.768 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.683 2.260 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.090 2.180 -1.828 1.00 0.00 H new ATOM 1414 N PHE A 92 12.487 1.024 -4.065 1.00 0.00 N ATOM 1415 CA PHE A 92 13.929 1.070 -4.276 1.00 0.00 C ATOM 1416 C PHE A 92 14.607 1.939 -3.221 1.00 0.00 C ATOM 1417 O PHE A 92 14.725 3.154 -3.383 1.00 0.00 O ATOM 1418 CB PHE A 92 14.244 1.606 -5.674 1.00 0.00 C ATOM 1419 CG PHE A 92 14.014 0.603 -6.768 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.876 -0.469 -6.935 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.935 0.731 -7.628 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.666 -1.394 -7.941 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.720 -0.191 -8.635 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.586 -1.255 -8.791 1.00 0.00 C ATOM 0 H PHE A 92 12.039 1.939 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 92 14.316 0.055 -4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.629 2.486 -5.864 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.284 1.931 -5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.721 -0.583 -6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.254 1.561 -7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.346 -2.224 -8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.876 -0.079 -9.299 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.419 -1.977 -9.576 1.00 0.00 H new ATOM 1434 N VAL A 93 15.050 1.308 -2.138 1.00 0.00 N ATOM 1435 CA VAL A 93 15.716 2.022 -1.056 1.00 0.00 C ATOM 1436 C VAL A 93 17.231 1.973 -1.216 1.00 0.00 C ATOM 1437 O VAL A 93 17.833 0.899 -1.203 1.00 0.00 O ATOM 1438 CB VAL A 93 15.337 1.438 0.318 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.458 -0.078 0.307 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.205 2.043 1.411 1.00 0.00 C ATOM 0 H VAL A 93 14.959 0.303 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 93 15.382 3.058 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 93 14.298 1.693 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.186 -0.472 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.790 -0.491 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.485 -0.359 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.924 1.619 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.253 1.821 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.061 3.123 1.434 1.00 0.00 H new ATOM 1450 N ARG A 94 17.843 3.143 -1.366 1.00 0.00 N ATOM 1451 CA ARG A 94 19.289 3.234 -1.530 1.00 0.00 C ATOM 1452 C ARG A 94 20.001 3.011 -0.199 1.00 0.00 C ATOM 1453 O ARG A 94 19.371 2.992 0.858 1.00 0.00 O ATOM 1454 CB ARG A 94 19.674 4.598 -2.104 1.00 0.00 C ATOM 1455 CG ARG A 94 18.869 4.991 -3.333 1.00 0.00 C ATOM 1456 CD ARG A 94 19.075 6.455 -3.689 1.00 0.00 C ATOM 1457 NE ARG A 94 18.159 7.330 -2.962 1.00 0.00 N ATOM 1458 CZ ARG A 94 18.098 8.644 -3.144 1.00 0.00 C ATOM 1459 NH1 ARG A 94 18.895 9.232 -4.025 1.00 0.00 N ATOM 1460 NH2 ARG A 94 17.238 9.373 -2.444 1.00 0.00 N ATOM 0 H ARG A 94 17.360 4.041 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 94 19.601 2.454 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.540 5.358 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.733 4.589 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 94 19.162 4.366 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.811 4.805 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 94 20.103 6.741 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 94 18.932 6.591 -4.761 1.00 0.00 H new ATOM 0 HE ARG A 94 17.532 6.909 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 94 19.557 8.675 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.846 10.241 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.623 8.924 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.192 10.382 -2.585 1.00 0.00 H new ATOM 1474 N SER A 95 21.318 2.842 -0.260 1.00 0.00 N ATOM 1475 CA SER A 95 22.116 2.616 0.940 1.00 0.00 C ATOM 1476 C SER A 95 23.573 3.003 0.704 1.00 0.00 C ATOM 1477 O SER A 95 24.256 2.415 -0.133 1.00 0.00 O ATOM 1478 CB SER A 95 22.029 1.150 1.367 1.00 0.00 C ATOM 1479 OG SER A 95 22.857 0.895 2.488 1.00 0.00 O ATOM 0 H SER A 95 21.855 2.857 -1.127 1.00 0.00 H new ATOM 0 HA SER A 95 21.716 3.243 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 95 20.996 0.899 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.327 0.508 0.538 1.00 0.00 H new ATOM 0 HG SER A 95 22.782 -0.049 2.742 1.00 0.00 H new ATOM 1485 N GLY A 96 24.043 3.999 1.450 1.00 0.00 N ATOM 1486 CA GLY A 96 25.415 4.449 1.308 1.00 0.00 C ATOM 1487 C GLY A 96 25.777 5.531 2.306 1.00 0.00 C ATOM 1488 O GLY A 96 25.171 5.651 3.371 1.00 0.00 O ATOM 0 H GLY A 96 23.498 4.502 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 96 26.087 3.601 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 96 25.568 4.826 0.297 1.00 0.00 H new ATOM 1492 N PRO A 97 26.788 6.343 1.963 1.00 0.00 N ATOM 1493 CA PRO A 97 27.252 7.435 2.824 1.00 0.00 C ATOM 1494 C PRO A 97 26.240 8.572 2.915 1.00 0.00 C ATOM 1495 O PRO A 97 26.147 9.406 2.015 1.00 0.00 O ATOM 1496 CB PRO A 97 28.532 7.912 2.132 1.00 0.00 C ATOM 1497 CG PRO A 97 28.353 7.533 0.702 1.00 0.00 C ATOM 1498 CD PRO A 97 27.554 6.259 0.709 1.00 0.00 C ATOM 0 HA PRO A 97 27.403 7.107 3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 97 28.664 8.988 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 97 29.414 7.436 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 97 27.832 8.317 0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 97 29.316 7.387 0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.898 6.192 -0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 97 28.199 5.380 0.690 1.00 0.00 H new ATOM 1506 N SER A 98 25.485 8.599 4.009 1.00 0.00 N ATOM 1507 CA SER A 98 24.477 9.633 4.216 1.00 0.00 C ATOM 1508 C SER A 98 25.038 10.778 5.053 1.00 0.00 C ATOM 1509 O SER A 98 24.973 11.942 4.657 1.00 0.00 O ATOM 1510 CB SER A 98 23.244 9.042 4.901 1.00 0.00 C ATOM 1511 OG SER A 98 22.332 8.522 3.949 1.00 0.00 O ATOM 0 H SER A 98 25.552 7.918 4.765 1.00 0.00 H new ATOM 0 HA SER A 98 24.189 10.026 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.549 8.251 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.753 9.810 5.498 1.00 0.00 H new ATOM 0 HG SER A 98 21.419 8.773 4.200 1.00 0.00 H new ATOM 1517 N SER A 99 25.590 10.439 6.214 1.00 0.00 N ATOM 1518 CA SER A 99 26.159 11.439 7.111 1.00 0.00 C ATOM 1519 C SER A 99 27.681 11.463 7.001 1.00 0.00 C ATOM 1520 O SER A 99 28.365 10.580 7.517 1.00 0.00 O ATOM 1521 CB SER A 99 25.745 11.154 8.556 1.00 0.00 C ATOM 1522 OG SER A 99 24.444 11.649 8.820 1.00 0.00 O ATOM 0 H SER A 99 25.655 9.480 6.556 1.00 0.00 H new ATOM 0 HA SER A 99 25.775 12.416 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 99 25.774 10.080 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 99 26.458 11.614 9.240 1.00 0.00 H new ATOM 0 HG SER A 99 24.202 11.453 9.749 1.00 0.00 H new ATOM 1528 N GLY A 100 28.203 12.482 6.325 1.00 0.00 N ATOM 1529 CA GLY A 100 29.640 12.603 6.160 1.00 0.00 C ATOM 1530 C GLY A 100 30.041 13.920 5.524 1.00 0.00 C ATOM 1531 O GLY A 100 30.455 13.957 4.366 1.00 0.00 O ATOM 0 H GLY A 100 27.657 13.225 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 100 30.124 12.510 7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 100 30.003 11.780 5.544 1.00 0.00 H new TER 1535 GLY A 100