USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 734 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 25 THR OG1 : rot 180:sc= -0.463 USER MOD Set 1.2: A 26 SER OG : rot 113:sc= -0.0278 USER MOD Single : A 1 GLU N :NH3+ 171:sc= -0.501 (180deg=-0.817) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 60:sc= -0.266 USER MOD Single : A 11 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -5.28! C(o=-9.2!,f=-5.3!) USER MOD Single : A 18 ASN : amide:sc= -0.0807 K(o=-0.081,f=-4.3!) USER MOD Single : A 28 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.6!) USER MOD Single : A 31 THR OG1 : rot 68:sc= 0.234 USER MOD Single : A 32 SER OG : rot 16:sc= 0.948 USER MOD Single : A 38 SER OG : rot -119:sc= 1.09 USER MOD Single : A 39 GLN : amide:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.0515 (180deg=-0.319) USER MOD Single : A 53 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.9) USER MOD Single : A 55 SER OG : rot -70:sc= -1.17! USER MOD Single : A 60 MET CE :methyl 170:sc= -13.8! (180deg=-14.7!) USER MOD Single : A 61 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.8!) USER MOD Single : A 63 SER OG : rot 59:sc= 0.955 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.615 K(o=-0.62,f=-3.1!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 170:sc= 0.65 USER MOD Single : A 82 ASN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 5:sc= -4.08! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -10.075 -12.567 17.821 1.00 1.00 N ATOM 2 CA GLU A 1 -8.792 -12.129 17.299 1.00 1.00 C ATOM 3 C GLU A 1 -8.925 -10.745 16.658 1.00 1.00 C ATOM 4 O GLU A 1 -10.034 -10.275 16.412 1.00 1.00 O ATOM 5 CB GLU A 1 -8.230 -13.143 16.301 1.00 1.00 C ATOM 6 CG GLU A 1 -9.356 -13.844 15.539 1.00 1.00 C ATOM 7 CD GLU A 1 -10.032 -12.885 14.556 1.00 1.00 C ATOM 8 OE1 GLU A 1 -9.461 -11.795 14.344 1.00 1.00 O ATOM 9 OE2 GLU A 1 -11.107 -13.265 14.042 1.00 1.00 O ATOM 0 H1 GLU A 1 -10.009 -13.562 18.115 1.00 1.00 H new ATOM 0 H2 GLU A 1 -10.335 -11.981 18.640 1.00 1.00 H new ATOM 0 H3 GLU A 1 -10.801 -12.472 17.083 1.00 1.00 H new ATOM 0 HA GLU A 1 -8.089 -12.059 18.129 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -7.569 -12.638 15.597 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -7.628 -13.883 16.829 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -8.955 -14.702 14.999 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -10.093 -14.227 16.244 1.00 1.00 H new ATOM 16 N LYS A 2 -7.777 -10.132 16.406 1.00 1.00 N ATOM 17 CA LYS A 2 -7.751 -8.813 15.799 1.00 1.00 C ATOM 18 C LYS A 2 -6.430 -8.625 15.051 1.00 1.00 C ATOM 19 O LYS A 2 -5.522 -9.448 15.173 1.00 1.00 O ATOM 20 CB LYS A 2 -8.022 -7.733 16.849 1.00 1.00 C ATOM 21 CG LYS A 2 -8.662 -8.337 18.101 1.00 1.00 C ATOM 22 CD LYS A 2 -8.740 -7.304 19.228 1.00 1.00 C ATOM 23 CE LYS A 2 -10.149 -7.245 19.822 1.00 1.00 C ATOM 24 NZ LYS A 2 -10.193 -6.302 20.960 1.00 1.00 N ATOM 0 H LYS A 2 -6.859 -10.525 16.611 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.550 -8.718 15.064 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -7.089 -7.237 17.116 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -8.680 -6.971 16.431 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -9.663 -8.699 17.864 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.081 -9.198 18.431 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.023 -7.558 20.009 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -8.461 -6.322 18.846 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -10.860 -6.934 19.057 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.452 -8.238 20.153 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.156 -6.274 21.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.529 -6.616 21.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -9.924 -5.352 20.634 1.00 1.00 H new ATOM 38 N PRO A 3 -6.362 -7.512 14.274 1.00 1.00 N ATOM 39 CA PRO A 3 -5.166 -7.206 13.507 1.00 1.00 C ATOM 40 C PRO A 3 -4.050 -6.684 14.415 1.00 1.00 C ATOM 41 O PRO A 3 -3.118 -7.417 14.744 1.00 1.00 O ATOM 42 CB PRO A 3 -5.613 -6.189 12.470 1.00 1.00 C ATOM 43 CG PRO A 3 -6.923 -5.616 12.986 1.00 1.00 C ATOM 44 CD PRO A 3 -7.416 -6.516 14.106 1.00 1.00 C ATOM 0 HA PRO A 3 -4.739 -8.085 13.025 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.866 -5.405 12.345 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -5.749 -6.658 11.496 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.778 -4.599 13.350 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.660 -5.566 12.184 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.578 -5.952 15.025 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -8.366 -6.985 13.848 1.00 1.00 H new ATOM 52 N ALA A 4 -4.182 -5.421 14.794 1.00 1.00 N ATOM 53 CA ALA A 4 -3.197 -4.793 15.658 1.00 1.00 C ATOM 54 C ALA A 4 -3.791 -3.518 16.259 1.00 1.00 C ATOM 55 O ALA A 4 -4.595 -3.582 17.188 1.00 1.00 O ATOM 56 CB ALA A 4 -1.920 -4.520 14.861 1.00 1.00 C ATOM 0 H ALA A 4 -4.956 -4.816 14.519 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.933 -5.455 16.483 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -1.181 -4.049 15.509 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -1.521 -5.460 14.479 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -2.147 -3.856 14.027 1.00 1.00 H new ATOM 62 N ALA A 5 -3.374 -2.389 15.705 1.00 1.00 N ATOM 63 CA ALA A 5 -3.856 -1.102 16.176 1.00 1.00 C ATOM 64 C ALA A 5 -3.052 0.015 15.505 1.00 1.00 C ATOM 65 O ALA A 5 -3.600 1.062 15.166 1.00 1.00 O ATOM 66 CB ALA A 5 -3.765 -1.049 17.701 1.00 1.00 C ATOM 0 H ALA A 5 -2.708 -2.339 14.934 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.903 -0.963 15.907 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.127 -0.083 18.054 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.375 -1.844 18.130 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -2.728 -1.182 18.008 1.00 1.00 H new ATOM 72 N CYS A 6 -1.765 -0.249 15.332 1.00 1.00 N ATOM 73 CA CYS A 6 -0.880 0.720 14.708 1.00 1.00 C ATOM 74 C CYS A 6 -1.426 1.043 13.316 1.00 1.00 C ATOM 75 O CYS A 6 -0.997 2.007 12.685 1.00 1.00 O ATOM 76 CB CYS A 6 0.563 0.215 14.653 1.00 1.00 C ATOM 77 SG CYS A 6 1.441 0.223 16.260 1.00 1.00 S ATOM 0 H CYS A 6 -1.314 -1.120 15.613 1.00 1.00 H new ATOM 0 HA CYS A 6 -0.854 1.631 15.307 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.563 -0.802 14.260 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.121 0.829 13.947 1.00 1.00 H new ATOM 82 N ARG A 7 -2.365 0.216 12.878 1.00 1.00 N ATOM 83 CA ARG A 7 -2.973 0.401 11.571 1.00 1.00 C ATOM 84 C ARG A 7 -4.448 0.776 11.722 1.00 1.00 C ATOM 85 O ARG A 7 -5.241 0.576 10.802 1.00 1.00 O ATOM 86 CB ARG A 7 -2.860 -0.869 10.726 1.00 1.00 C ATOM 87 CG ARG A 7 -2.696 -2.106 11.613 1.00 1.00 C ATOM 88 CD ARG A 7 -2.056 -3.258 10.837 1.00 1.00 C ATOM 89 NE ARG A 7 -0.916 -3.812 11.600 1.00 1.00 N ATOM 90 CZ ARG A 7 -0.950 -4.978 12.260 1.00 1.00 C ATOM 91 NH1 ARG A 7 -2.065 -5.721 12.251 1.00 1.00 N ATOM 92 NH2 ARG A 7 0.133 -5.402 12.926 1.00 1.00 N ATOM 0 H ARG A 7 -2.719 -0.583 13.404 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.439 1.207 11.067 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.750 -0.977 10.106 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -2.009 -0.786 10.051 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -2.080 -1.859 12.477 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -3.669 -2.416 11.994 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -2.795 -4.038 10.654 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -1.716 -2.906 9.863 1.00 1.00 H new ATOM 0 HE ARG A 7 -0.050 -3.273 11.625 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -2.888 -5.399 11.742 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -2.091 -6.608 12.753 1.00 1.00 H new ATOM 0 HH21 ARG A 7 0.982 -4.837 12.930 1.00 1.00 H new ATOM 0 HH22 ARG A 7 0.108 -6.289 13.428 1.00 1.00 H new ATOM 106 N CYS A 8 -4.774 1.312 12.889 1.00 1.00 N ATOM 107 CA CYS A 8 -6.141 1.716 13.171 1.00 1.00 C ATOM 108 C CYS A 8 -6.099 2.955 14.069 1.00 1.00 C ATOM 109 O CYS A 8 -6.504 4.040 13.654 1.00 1.00 O ATOM 110 CB CYS A 8 -6.948 0.581 13.803 1.00 1.00 C ATOM 111 SG CYS A 8 -6.426 -1.101 13.305 1.00 1.00 S ATOM 0 H CYS A 8 -4.115 1.476 13.650 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.651 1.960 12.239 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.876 0.663 14.888 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.998 0.712 13.543 1.00 1.00 H new ATOM 116 N SER A 9 -5.607 2.752 15.281 1.00 1.00 N ATOM 117 CA SER A 9 -5.507 3.838 16.241 1.00 1.00 C ATOM 118 C SER A 9 -4.210 4.617 16.016 1.00 1.00 C ATOM 119 O SER A 9 -3.391 4.742 16.926 1.00 1.00 O ATOM 120 CB SER A 9 -5.569 3.312 17.677 1.00 1.00 C ATOM 121 OG SER A 9 -4.273 3.033 18.199 1.00 1.00 O ATOM 0 H SER A 9 -5.273 1.850 15.621 1.00 1.00 H new ATOM 0 HA SER A 9 -6.355 4.506 16.091 1.00 1.00 H new ATOM 0 HB2 SER A 9 -6.065 4.047 18.311 1.00 1.00 H new ATOM 0 HB3 SER A 9 -6.174 2.406 17.706 1.00 1.00 H new ATOM 0 HG SER A 9 -3.734 3.852 18.192 1.00 1.00 H new ATOM 127 N ARG A 10 -4.064 5.122 14.801 1.00 1.00 N ATOM 128 CA ARG A 10 -2.881 5.886 14.445 1.00 1.00 C ATOM 129 C ARG A 10 -2.904 6.240 12.957 1.00 1.00 C ATOM 130 O ARG A 10 -2.210 7.158 12.522 1.00 1.00 O ATOM 131 CB ARG A 10 -1.604 5.102 14.755 1.00 1.00 C ATOM 132 CG ARG A 10 -0.366 5.989 14.614 1.00 1.00 C ATOM 133 CD ARG A 10 -0.327 7.055 15.711 1.00 1.00 C ATOM 134 NE ARG A 10 0.935 6.947 16.477 1.00 1.00 N ATOM 135 CZ ARG A 10 2.098 7.484 16.086 1.00 1.00 C ATOM 136 NH1 ARG A 10 2.169 8.169 14.937 1.00 1.00 N ATOM 137 NH2 ARG A 10 3.192 7.335 16.846 1.00 1.00 N ATOM 0 H ARG A 10 -4.746 5.017 14.050 1.00 1.00 H new ATOM 0 HA ARG A 10 -2.887 6.800 15.039 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -1.656 4.702 15.768 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -1.524 4.250 14.080 1.00 1.00 H new ATOM 0 HG2 ARG A 10 0.533 5.375 14.666 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -0.368 6.469 13.635 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -0.409 8.048 15.268 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -1.179 6.932 16.379 1.00 1.00 H new ATOM 0 HE ARG A 10 0.918 6.432 17.357 1.00 1.00 H new ATOM 0 HH11 ARG A 10 1.337 8.282 14.358 1.00 1.00 H new ATOM 0 HH12 ARG A 10 3.055 8.577 14.641 1.00 1.00 H new ATOM 0 HH21 ARG A 10 3.138 6.813 17.721 1.00 1.00 H new ATOM 0 HH22 ARG A 10 4.078 7.743 16.550 1.00 1.00 H new ATOM 151 N GLN A 11 -3.709 5.492 12.216 1.00 1.00 N ATOM 152 CA GLN A 11 -3.833 5.716 10.786 1.00 1.00 C ATOM 153 C GLN A 11 -3.942 7.213 10.489 1.00 1.00 C ATOM 154 O GLN A 11 -3.034 7.979 10.806 1.00 1.00 O ATOM 155 CB GLN A 11 -5.031 4.955 10.214 1.00 1.00 C ATOM 156 CG GLN A 11 -4.981 4.923 8.685 1.00 1.00 C ATOM 157 CD GLN A 11 -6.161 4.135 8.113 1.00 1.00 C ATOM 158 OE1 GLN A 11 -6.886 4.595 7.246 1.00 1.00 O ATOM 159 NE2 GLN A 11 -6.313 2.926 8.646 1.00 1.00 N ATOM 0 H GLN A 11 -4.282 4.730 12.580 1.00 1.00 H new ATOM 0 HA GLN A 11 -2.935 5.334 10.300 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -5.039 3.937 10.603 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -5.957 5.428 10.541 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -4.996 5.941 8.296 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -4.045 4.471 8.358 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -5.670 2.603 9.369 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -7.073 2.322 8.332 1.00 1.00 H new ATOM 168 N ASP A 12 -5.061 7.584 9.886 1.00 1.00 N ATOM 169 CA ASP A 12 -5.300 8.975 9.543 1.00 1.00 C ATOM 170 C ASP A 12 -6.808 9.235 9.507 1.00 1.00 C ATOM 171 O ASP A 12 -7.586 8.348 9.161 1.00 1.00 O ATOM 172 CB ASP A 12 -4.730 9.309 8.163 1.00 1.00 C ATOM 173 CG ASP A 12 -5.153 10.667 7.599 1.00 1.00 C ATOM 174 OD1 ASP A 12 -6.367 10.825 7.349 1.00 1.00 O ATOM 175 OD2 ASP A 12 -4.251 11.517 7.433 1.00 1.00 O ATOM 0 H ASP A 12 -5.813 6.945 9.626 1.00 1.00 H new ATOM 0 HA ASP A 12 -4.812 9.596 10.294 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.642 9.279 8.219 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -5.035 8.531 7.463 1.00 1.00 H new ATOM 180 N PRO A 13 -7.184 10.488 9.878 1.00 1.00 N ATOM 181 CA PRO A 13 -8.584 10.877 9.892 1.00 1.00 C ATOM 182 C PRO A 13 -9.104 11.104 8.471 1.00 1.00 C ATOM 183 O PRO A 13 -9.300 12.244 8.052 1.00 1.00 O ATOM 184 CB PRO A 13 -8.637 12.129 10.751 1.00 1.00 C ATOM 185 CG PRO A 13 -7.213 12.659 10.802 1.00 1.00 C ATOM 186 CD PRO A 13 -6.289 11.565 10.293 1.00 1.00 C ATOM 0 HA PRO A 13 -9.231 10.102 10.302 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -9.314 12.868 10.323 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -9.005 11.901 11.751 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -7.117 13.555 10.189 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.947 12.940 11.821 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -5.680 11.917 9.460 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -5.603 11.232 11.072 1.00 1.00 H new ATOM 194 N LYS A 14 -9.314 10.000 7.767 1.00 1.00 N ATOM 195 CA LYS A 14 -9.807 10.065 6.402 1.00 1.00 C ATOM 196 C LYS A 14 -8.757 9.477 5.457 1.00 1.00 C ATOM 197 O LYS A 14 -7.870 10.189 4.988 1.00 1.00 O ATOM 198 CB LYS A 14 -10.220 11.495 6.050 1.00 1.00 C ATOM 199 CG LYS A 14 -10.893 11.548 4.676 1.00 1.00 C ATOM 200 CD LYS A 14 -12.060 12.537 4.675 1.00 1.00 C ATOM 201 CE LYS A 14 -11.801 13.689 3.702 1.00 1.00 C ATOM 202 NZ LYS A 14 -12.560 13.488 2.447 1.00 1.00 N ATOM 0 H LYS A 14 -9.151 9.056 8.117 1.00 1.00 H new ATOM 0 HA LYS A 14 -10.708 9.462 6.292 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.903 11.877 6.809 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.343 12.142 6.055 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.163 11.840 3.921 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -11.253 10.555 4.405 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.979 12.021 4.397 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.208 12.932 5.680 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.091 14.634 4.162 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -10.735 13.755 3.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -12.373 14.279 1.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -12.264 12.596 2.001 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -13.577 13.448 2.659 1.00 1.00 H new ATOM 216 N ASN A 15 -8.892 8.183 5.206 1.00 1.00 N ATOM 217 CA ASN A 15 -7.966 7.491 4.325 1.00 1.00 C ATOM 218 C ASN A 15 -8.629 6.219 3.793 1.00 1.00 C ATOM 219 O ASN A 15 -8.504 5.897 2.612 1.00 1.00 O ATOM 220 CB ASN A 15 -6.694 7.085 5.072 1.00 1.00 C ATOM 221 CG ASN A 15 -5.561 8.078 4.805 1.00 1.00 C ATOM 222 OD1 ASN A 15 -5.665 9.215 5.486 1.00 1.00 O flip ATOM 223 ND2 ASN A 15 -4.652 7.828 4.030 1.00 1.00 N flip ATOM 0 H ASN A 15 -9.628 7.596 5.597 1.00 1.00 H new ATOM 0 HA ASN A 15 -7.705 8.168 3.511 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -6.896 7.037 6.142 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -6.388 6.086 4.760 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -4.632 6.934 3.538 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -3.912 8.513 3.874 1.00 1.00 H new ATOM 230 N ARG A 16 -9.319 5.530 4.691 1.00 1.00 N ATOM 231 CA ARG A 16 -10.001 4.300 4.326 1.00 1.00 C ATOM 232 C ARG A 16 -11.515 4.473 4.463 1.00 1.00 C ATOM 233 O ARG A 16 -11.983 5.466 5.018 1.00 1.00 O ATOM 234 CB ARG A 16 -9.546 3.136 5.209 1.00 1.00 C ATOM 235 CG ARG A 16 -8.338 2.424 4.597 1.00 1.00 C ATOM 236 CD ARG A 16 -8.628 1.989 3.159 1.00 1.00 C ATOM 237 NE ARG A 16 -7.914 2.871 2.210 1.00 1.00 N ATOM 238 CZ ARG A 16 -8.088 2.841 0.881 1.00 1.00 C ATOM 239 NH1 ARG A 16 -8.952 1.973 0.338 1.00 1.00 N ATOM 240 NH2 ARG A 16 -7.397 3.680 0.097 1.00 1.00 N ATOM 0 H ARG A 16 -9.420 5.800 5.669 1.00 1.00 H new ATOM 0 HA ARG A 16 -9.749 4.075 3.290 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -9.290 3.506 6.202 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -10.365 2.428 5.334 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -7.474 3.088 4.612 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -8.081 1.553 5.199 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -8.315 0.955 3.013 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -9.700 2.028 2.968 1.00 1.00 H new ATOM 0 HE ARG A 16 -7.248 3.544 2.590 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -9.477 1.335 0.936 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -9.084 1.950 -0.673 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -6.739 4.340 0.512 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -7.529 3.658 -0.914 1.00 1.00 H new ATOM 254 N VAL A 17 -12.239 3.491 3.946 1.00 1.00 N ATOM 255 CA VAL A 17 -13.691 3.522 4.003 1.00 1.00 C ATOM 256 C VAL A 17 -14.169 2.686 5.192 1.00 1.00 C ATOM 257 O VAL A 17 -13.360 2.088 5.900 1.00 1.00 O ATOM 258 CB VAL A 17 -14.278 3.056 2.669 1.00 1.00 C ATOM 259 CG1 VAL A 17 -15.622 3.733 2.393 1.00 1.00 C ATOM 260 CG2 VAL A 17 -13.295 3.299 1.523 1.00 1.00 C ATOM 0 H VAL A 17 -11.848 2.669 3.486 1.00 1.00 H new ATOM 0 HA VAL A 17 -14.045 4.541 4.159 1.00 1.00 H new ATOM 0 HB VAL A 17 -14.453 1.982 2.738 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -16.016 3.384 1.439 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -16.325 3.485 3.189 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -15.484 4.814 2.355 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -13.737 2.959 0.586 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -13.073 4.364 1.454 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -12.374 2.748 1.711 1.00 1.00 H new ATOM 270 N ASN A 18 -15.481 2.671 5.374 1.00 1.00 N ATOM 271 CA ASN A 18 -16.076 1.916 6.465 1.00 1.00 C ATOM 272 C ASN A 18 -16.115 0.433 6.092 1.00 1.00 C ATOM 273 O ASN A 18 -16.410 0.084 4.951 1.00 1.00 O ATOM 274 CB ASN A 18 -17.511 2.375 6.733 1.00 1.00 C ATOM 275 CG ASN A 18 -17.952 1.995 8.148 1.00 1.00 C ATOM 276 OD1 ASN A 18 -18.139 0.835 8.477 1.00 1.00 O ATOM 277 ND2 ASN A 18 -18.109 3.034 8.963 1.00 1.00 N ATOM 0 H ASN A 18 -16.149 3.169 4.785 1.00 1.00 H new ATOM 0 HA ASN A 18 -15.472 2.080 7.358 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -17.581 3.455 6.604 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -18.184 1.922 6.005 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -18.403 2.885 9.928 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -17.935 3.980 8.623 1.00 1.00 H new ATOM 284 N CYS A 19 -15.813 -0.400 7.078 1.00 1.00 N ATOM 285 CA CYS A 19 -15.810 -1.838 6.868 1.00 1.00 C ATOM 286 C CYS A 19 -16.688 -2.482 7.943 1.00 1.00 C ATOM 287 O CYS A 19 -16.261 -3.415 8.621 1.00 1.00 O ATOM 288 CB CYS A 19 -14.390 -2.407 6.873 1.00 1.00 C ATOM 289 SG CYS A 19 -14.295 -4.230 6.750 1.00 1.00 S ATOM 0 H CYS A 19 -15.569 -0.106 8.024 1.00 1.00 H new ATOM 0 HA CYS A 19 -16.218 -2.066 5.883 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -13.836 -1.971 6.042 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -13.890 -2.092 7.789 1.00 1.00 H new ATOM 294 N GLY A 20 -17.899 -1.957 8.067 1.00 1.00 N ATOM 295 CA GLY A 20 -18.840 -2.470 9.048 1.00 1.00 C ATOM 296 C GLY A 20 -20.162 -1.703 8.992 1.00 1.00 C ATOM 297 O GLY A 20 -20.553 -1.210 7.936 1.00 1.00 O ATOM 0 H GLY A 20 -18.250 -1.182 7.504 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -19.022 -3.529 8.864 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -18.410 -2.389 10.046 1.00 1.00 H new ATOM 301 N PHE A 21 -20.815 -1.627 10.143 1.00 1.00 N ATOM 302 CA PHE A 21 -22.085 -0.929 10.238 1.00 1.00 C ATOM 303 C PHE A 21 -22.060 0.103 11.367 1.00 1.00 C ATOM 304 O PHE A 21 -21.187 0.062 12.231 1.00 1.00 O ATOM 305 CB PHE A 21 -23.152 -1.981 10.549 1.00 1.00 C ATOM 306 CG PHE A 21 -22.641 -3.157 11.384 1.00 1.00 C ATOM 307 CD1 PHE A 21 -21.730 -4.019 10.859 1.00 1.00 C ATOM 308 CD2 PHE A 21 -23.099 -3.340 12.651 1.00 1.00 C ATOM 309 CE1 PHE A 21 -21.256 -5.110 11.633 1.00 1.00 C ATOM 310 CE2 PHE A 21 -22.625 -4.433 13.426 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.713 -5.294 12.901 1.00 1.00 C ATOM 0 H PHE A 21 -20.488 -2.038 11.017 1.00 1.00 H new ATOM 0 HA PHE A 21 -22.291 -0.404 9.305 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -23.976 -1.503 11.079 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -23.556 -2.363 9.611 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -21.367 -3.873 9.852 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -23.823 -2.655 13.068 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -20.532 -5.794 11.215 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -22.989 -4.580 14.432 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.352 -6.124 13.490 1.00 1.00 H new ATOM 321 N PRO A 22 -23.055 1.029 11.322 1.00 1.00 N ATOM 322 CA PRO A 22 -23.155 2.071 12.330 1.00 1.00 C ATOM 323 C PRO A 22 -23.692 1.508 13.647 1.00 1.00 C ATOM 324 O PRO A 22 -23.864 2.245 14.617 1.00 1.00 O ATOM 325 CB PRO A 22 -24.065 3.124 11.719 1.00 1.00 C ATOM 326 CG PRO A 22 -24.811 2.427 10.591 1.00 1.00 C ATOM 327 CD PRO A 22 -24.107 1.110 10.312 1.00 1.00 C ATOM 0 HA PRO A 22 -22.187 2.502 12.588 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -24.759 3.518 12.461 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -23.488 3.968 11.342 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -25.850 2.253 10.871 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -24.822 3.051 9.697 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -24.796 0.269 10.390 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -23.691 1.089 9.305 1.00 1.00 H new ATOM 335 N GLY A 23 -23.943 0.208 13.640 1.00 1.00 N ATOM 336 CA GLY A 23 -24.458 -0.462 14.822 1.00 1.00 C ATOM 337 C GLY A 23 -23.435 -1.456 15.377 1.00 1.00 C ATOM 338 O GLY A 23 -23.739 -2.217 16.295 1.00 1.00 O ATOM 0 H GLY A 23 -23.799 -0.400 12.834 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -24.704 0.276 15.585 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -25.382 -0.985 14.575 1.00 1.00 H new ATOM 342 N ILE A 24 -22.244 -1.416 14.800 1.00 1.00 N ATOM 343 CA ILE A 24 -21.175 -2.303 15.226 1.00 1.00 C ATOM 344 C ILE A 24 -20.779 -1.962 16.664 1.00 1.00 C ATOM 345 O ILE A 24 -21.275 -0.994 17.236 1.00 1.00 O ATOM 346 CB ILE A 24 -20.008 -2.250 14.237 1.00 1.00 C ATOM 347 CG1 ILE A 24 -19.158 -3.518 14.323 1.00 1.00 C ATOM 348 CG2 ILE A 24 -19.174 -0.984 14.441 1.00 1.00 C ATOM 349 CD1 ILE A 24 -18.484 -3.820 12.984 1.00 1.00 C ATOM 0 H ILE A 24 -21.995 -0.783 14.040 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.516 -3.338 15.225 1.00 1.00 H new ATOM 0 HB ILE A 24 -20.417 -2.206 13.228 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.400 -3.400 15.097 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.784 -4.360 14.617 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -18.351 -0.971 13.726 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.802 -0.106 14.288 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.774 -0.971 15.455 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.886 -4.727 13.074 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -19.246 -3.962 12.217 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.839 -2.987 12.705 1.00 1.00 H new ATOM 361 N THR A 25 -19.886 -2.779 17.206 1.00 1.00 N ATOM 362 CA THR A 25 -19.417 -2.576 18.566 1.00 1.00 C ATOM 363 C THR A 25 -17.892 -2.461 18.593 1.00 1.00 C ATOM 364 O THR A 25 -17.347 -1.515 19.161 1.00 1.00 O ATOM 365 CB THR A 25 -19.955 -3.720 19.427 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.127 -4.829 19.089 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.358 -4.162 19.005 1.00 1.00 C ATOM 0 H THR A 25 -19.476 -3.581 16.728 1.00 1.00 H new ATOM 0 HA THR A 25 -19.789 -1.638 18.977 1.00 1.00 H new ATOM 0 HB THR A 25 -19.971 -3.410 20.472 1.00 1.00 H new ATOM 0 HG1 THR A 25 -19.406 -5.615 19.604 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.692 -4.976 19.648 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.047 -3.322 19.095 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.336 -4.503 17.970 1.00 1.00 H new ATOM 375 N SER A 26 -17.246 -3.436 17.971 1.00 1.00 N ATOM 376 CA SER A 26 -15.794 -3.457 17.916 1.00 1.00 C ATOM 377 C SER A 26 -15.302 -4.870 17.599 1.00 1.00 C ATOM 378 O SER A 26 -14.835 -5.135 16.493 1.00 1.00 O ATOM 379 CB SER A 26 -15.186 -2.965 19.231 1.00 1.00 C ATOM 380 OG SER A 26 -15.837 -3.532 20.365 1.00 1.00 O ATOM 0 H SER A 26 -17.702 -4.218 17.500 1.00 1.00 H new ATOM 0 HA SER A 26 -15.472 -2.782 17.123 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.126 -3.218 19.257 1.00 1.00 H new ATOM 0 HB3 SER A 26 -15.256 -1.878 19.279 1.00 1.00 H new ATOM 0 HG SER A 26 -15.217 -4.130 20.833 1.00 1.00 H new ATOM 386 N ASP A 27 -15.423 -5.740 18.591 1.00 1.00 N ATOM 387 CA ASP A 27 -14.996 -7.121 18.432 1.00 1.00 C ATOM 388 C ASP A 27 -15.430 -7.628 17.054 1.00 1.00 C ATOM 389 O ASP A 27 -14.591 -7.999 16.234 1.00 1.00 O ATOM 390 CB ASP A 27 -15.637 -8.020 19.489 1.00 1.00 C ATOM 391 CG ASP A 27 -14.700 -8.463 20.616 1.00 1.00 C ATOM 392 OD1 ASP A 27 -13.507 -8.678 20.309 1.00 1.00 O ATOM 393 OD2 ASP A 27 -15.198 -8.575 21.756 1.00 1.00 O ATOM 0 H ASP A 27 -15.810 -5.516 19.508 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.912 -7.154 18.540 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.484 -7.493 19.927 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -16.034 -8.908 18.997 1.00 1.00 H new ATOM 398 N GLN A 28 -16.738 -7.627 16.842 1.00 1.00 N ATOM 399 CA GLN A 28 -17.291 -8.083 15.579 1.00 1.00 C ATOM 400 C GLN A 28 -16.594 -7.382 14.411 1.00 1.00 C ATOM 401 O GLN A 28 -16.556 -7.909 13.300 1.00 1.00 O ATOM 402 CB GLN A 28 -18.804 -7.857 15.530 1.00 1.00 C ATOM 403 CG GLN A 28 -19.522 -8.733 16.560 1.00 1.00 C ATOM 404 CD GLN A 28 -19.034 -10.181 16.482 1.00 1.00 C ATOM 405 OE1 GLN A 28 -18.744 -10.711 15.423 1.00 1.00 O ATOM 406 NE2 GLN A 28 -18.959 -10.790 17.662 1.00 1.00 N ATOM 0 H GLN A 28 -17.430 -7.318 17.524 1.00 1.00 H new ATOM 0 HA GLN A 28 -17.114 -9.155 15.492 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -19.025 -6.807 15.723 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -19.177 -8.083 14.531 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -19.348 -8.340 17.562 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -20.597 -8.698 16.386 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -19.217 -10.289 18.512 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -18.643 -11.758 17.717 1.00 1.00 H new ATOM 415 N CYS A 29 -16.062 -6.205 14.701 1.00 1.00 N ATOM 416 CA CYS A 29 -15.368 -5.426 13.689 1.00 1.00 C ATOM 417 C CYS A 29 -13.913 -5.897 13.633 1.00 1.00 C ATOM 418 O CYS A 29 -13.307 -5.923 12.564 1.00 1.00 O ATOM 419 CB CYS A 29 -15.472 -3.924 13.960 1.00 1.00 C ATOM 420 SG CYS A 29 -15.292 -2.863 12.480 1.00 1.00 S ATOM 0 H CYS A 29 -16.097 -5.771 15.623 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.838 -5.586 12.719 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.438 -3.718 14.422 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.707 -3.646 14.684 1.00 1.00 H new ATOM 425 N PHE A 30 -13.398 -6.258 14.798 1.00 1.00 N ATOM 426 CA PHE A 30 -12.026 -6.726 14.896 1.00 1.00 C ATOM 427 C PHE A 30 -11.939 -8.231 14.634 1.00 1.00 C ATOM 428 O PHE A 30 -10.861 -8.818 14.710 1.00 1.00 O ATOM 429 CB PHE A 30 -11.557 -6.442 16.325 1.00 1.00 C ATOM 430 CG PHE A 30 -11.189 -4.979 16.580 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.470 -4.287 15.656 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.581 -4.370 17.731 1.00 1.00 C ATOM 433 CE1 PHE A 30 -10.129 -2.929 15.892 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.240 -3.013 17.967 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.521 -2.320 17.044 1.00 1.00 C ATOM 0 H PHE A 30 -13.906 -6.236 15.682 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.407 -6.219 14.156 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.344 -6.734 17.020 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.691 -7.067 16.543 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -10.158 -4.771 14.742 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -12.152 -4.919 18.465 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -9.559 -2.380 15.158 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -11.552 -2.530 18.881 1.00 1.00 H new ATOM 0 HZ PHE A 30 -10.261 -1.287 17.225 1.00 1.00 H new ATOM 445 N THR A 31 -13.090 -8.813 14.330 1.00 1.00 N ATOM 446 CA THR A 31 -13.159 -10.238 14.055 1.00 1.00 C ATOM 447 C THR A 31 -13.440 -10.483 12.570 1.00 1.00 C ATOM 448 O THR A 31 -13.324 -11.609 12.090 1.00 1.00 O ATOM 449 CB THR A 31 -14.213 -10.848 14.981 1.00 1.00 C ATOM 450 OG1 THR A 31 -13.922 -10.282 16.257 1.00 1.00 O ATOM 451 CG2 THR A 31 -14.013 -12.350 15.186 1.00 1.00 C ATOM 0 H THR A 31 -13.983 -8.323 14.268 1.00 1.00 H new ATOM 0 HA THR A 31 -12.206 -10.726 14.258 1.00 1.00 H new ATOM 0 HB THR A 31 -15.206 -10.667 14.570 1.00 1.00 H new ATOM 0 HG1 THR A 31 -14.115 -9.321 16.241 1.00 1.00 H new ATOM 0 HG21 THR A 31 -14.787 -12.733 15.851 1.00 1.00 H new ATOM 0 HG22 THR A 31 -14.076 -12.860 14.225 1.00 1.00 H new ATOM 0 HG23 THR A 31 -13.033 -12.530 15.629 1.00 1.00 H new ATOM 459 N SER A 32 -13.806 -9.408 11.885 1.00 1.00 N ATOM 460 CA SER A 32 -14.104 -9.492 10.466 1.00 1.00 C ATOM 461 C SER A 32 -12.894 -9.037 9.649 1.00 1.00 C ATOM 462 O SER A 32 -13.011 -8.779 8.451 1.00 1.00 O ATOM 463 CB SER A 32 -15.332 -8.650 10.112 1.00 1.00 C ATOM 464 OG SER A 32 -15.388 -8.348 8.720 1.00 1.00 O ATOM 0 H SER A 32 -13.903 -8.476 12.287 1.00 1.00 H new ATOM 0 HA SER A 32 -14.327 -10.531 10.223 1.00 1.00 H new ATOM 0 HB2 SER A 32 -16.235 -9.186 10.404 1.00 1.00 H new ATOM 0 HB3 SER A 32 -15.313 -7.722 10.684 1.00 1.00 H new ATOM 0 HG SER A 32 -14.775 -8.937 8.233 1.00 1.00 H new ATOM 470 N GLY A 33 -11.759 -8.951 10.328 1.00 1.00 N ATOM 471 CA GLY A 33 -10.530 -8.532 9.680 1.00 1.00 C ATOM 472 C GLY A 33 -10.499 -7.014 9.490 1.00 1.00 C ATOM 473 O GLY A 33 -9.580 -6.480 8.871 1.00 1.00 O ATOM 0 H GLY A 33 -11.666 -9.165 11.321 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.674 -8.844 10.279 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.439 -9.025 8.712 1.00 1.00 H new ATOM 477 N CYS A 34 -11.515 -6.361 10.035 1.00 1.00 N ATOM 478 CA CYS A 34 -11.617 -4.916 9.934 1.00 1.00 C ATOM 479 C CYS A 34 -11.159 -4.308 11.261 1.00 1.00 C ATOM 480 O CYS A 34 -10.969 -5.024 12.242 1.00 1.00 O ATOM 481 CB CYS A 34 -13.034 -4.473 9.561 1.00 1.00 C ATOM 482 SG CYS A 34 -13.729 -5.294 8.080 1.00 1.00 S ATOM 0 H CYS A 34 -12.275 -6.807 10.548 1.00 1.00 H new ATOM 0 HA CYS A 34 -10.973 -4.559 9.131 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -13.694 -4.663 10.408 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -13.031 -3.396 9.394 1.00 1.00 H new ATOM 487 N CYS A 35 -10.998 -2.993 11.248 1.00 1.00 N ATOM 488 CA CYS A 35 -10.567 -2.280 12.439 1.00 1.00 C ATOM 489 C CYS A 35 -11.745 -1.451 12.956 1.00 1.00 C ATOM 490 O CYS A 35 -12.791 -1.385 12.313 1.00 1.00 O ATOM 491 CB CYS A 35 -9.336 -1.414 12.165 1.00 1.00 C ATOM 492 SG CYS A 35 -7.732 -2.250 12.446 1.00 1.00 S ATOM 0 H CYS A 35 -11.158 -2.403 10.432 1.00 1.00 H new ATOM 0 HA CYS A 35 -10.264 -2.995 13.204 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -9.374 -1.070 11.132 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -9.384 -0.528 12.798 1.00 1.00 H new ATOM 497 N PHE A 36 -11.534 -0.840 14.112 1.00 1.00 N ATOM 498 CA PHE A 36 -12.566 -0.018 14.723 1.00 1.00 C ATOM 499 C PHE A 36 -11.949 1.148 15.499 1.00 1.00 C ATOM 500 O PHE A 36 -11.676 1.028 16.692 1.00 1.00 O ATOM 501 CB PHE A 36 -13.333 -0.915 15.696 1.00 1.00 C ATOM 502 CG PHE A 36 -14.397 -0.178 16.514 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.364 0.539 15.882 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.374 -0.240 17.872 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.351 1.223 16.641 1.00 1.00 C ATOM 506 CE2 PHE A 36 -15.360 0.445 18.631 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.328 1.162 17.999 1.00 1.00 C ATOM 0 H PHE A 36 -10.664 -0.897 14.642 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.217 0.397 13.953 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.812 -1.717 15.134 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.624 -1.383 16.379 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.382 0.589 14.803 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -13.606 -0.810 18.374 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -17.120 1.792 16.139 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -15.341 0.397 19.710 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.078 1.683 18.576 1.00 1.00 H new ATOM 517 N ASP A 37 -11.749 2.249 14.789 1.00 1.00 N ATOM 518 CA ASP A 37 -11.170 3.435 15.397 1.00 1.00 C ATOM 519 C ASP A 37 -12.235 4.532 15.480 1.00 1.00 C ATOM 520 O ASP A 37 -12.283 5.420 14.630 1.00 1.00 O ATOM 521 CB ASP A 37 -10.005 3.969 14.562 1.00 1.00 C ATOM 522 CG ASP A 37 -9.546 5.384 14.921 1.00 1.00 C ATOM 523 OD1 ASP A 37 -9.138 5.568 16.088 1.00 1.00 O ATOM 524 OD2 ASP A 37 -9.616 6.248 14.021 1.00 1.00 O ATOM 0 H ASP A 37 -11.977 2.345 13.799 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.808 3.163 16.389 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -9.159 3.290 14.671 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -10.294 3.953 13.511 1.00 1.00 H new ATOM 529 N SER A 38 -13.061 4.433 16.510 1.00 1.00 N ATOM 530 CA SER A 38 -14.122 5.405 16.714 1.00 1.00 C ATOM 531 C SER A 38 -13.539 6.706 17.268 1.00 1.00 C ATOM 532 O SER A 38 -14.213 7.735 17.286 1.00 1.00 O ATOM 533 CB SER A 38 -15.194 4.860 17.659 1.00 1.00 C ATOM 534 OG SER A 38 -14.678 3.860 18.533 1.00 1.00 O ATOM 0 H SER A 38 -13.018 3.695 17.213 1.00 1.00 H new ATOM 0 HA SER A 38 -14.592 5.605 15.751 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.607 5.678 18.249 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.014 4.442 17.075 1.00 1.00 H new ATOM 0 HG SER A 38 -15.154 3.017 18.383 1.00 1.00 H new ATOM 540 N GLN A 39 -12.292 6.620 17.708 1.00 1.00 N ATOM 541 CA GLN A 39 -11.610 7.777 18.261 1.00 1.00 C ATOM 542 C GLN A 39 -11.746 8.974 17.318 1.00 1.00 C ATOM 543 O GLN A 39 -11.530 10.115 17.722 1.00 1.00 O ATOM 544 CB GLN A 39 -10.139 7.465 18.543 1.00 1.00 C ATOM 545 CG GLN A 39 -9.986 6.663 19.837 1.00 1.00 C ATOM 546 CD GLN A 39 -8.732 7.089 20.601 1.00 1.00 C ATOM 547 OE1 GLN A 39 -8.774 7.440 21.769 1.00 1.00 O ATOM 548 NE2 GLN A 39 -7.615 7.036 19.879 1.00 1.00 N ATOM 0 H GLN A 39 -11.736 5.765 17.692 1.00 1.00 H new ATOM 0 HA GLN A 39 -12.081 8.032 19.210 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -9.717 6.902 17.710 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -9.575 8.394 18.618 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.865 6.808 20.465 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -9.931 5.599 19.605 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -7.651 6.733 18.906 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -6.723 7.298 20.299 1.00 1.00 H new ATOM 557 N VAL A 40 -12.104 8.672 16.078 1.00 1.00 N ATOM 558 CA VAL A 40 -12.271 9.709 15.074 1.00 1.00 C ATOM 559 C VAL A 40 -13.745 9.789 14.671 1.00 1.00 C ATOM 560 O VAL A 40 -14.182 9.086 13.762 1.00 1.00 O ATOM 561 CB VAL A 40 -11.340 9.444 13.889 1.00 1.00 C ATOM 562 CG1 VAL A 40 -11.521 10.507 12.802 1.00 1.00 C ATOM 563 CG2 VAL A 40 -9.882 9.367 14.344 1.00 1.00 C ATOM 0 H VAL A 40 -12.283 7.724 15.746 1.00 1.00 H new ATOM 0 HA VAL A 40 -11.991 10.682 15.478 1.00 1.00 H new ATOM 0 HB VAL A 40 -11.608 8.478 13.461 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -10.848 10.296 11.971 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -12.552 10.493 12.447 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -11.293 11.490 13.213 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -9.242 9.178 13.483 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -9.596 10.310 14.809 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -9.768 8.558 15.065 1.00 1.00 H new ATOM 573 N PRO A 41 -14.489 10.676 15.386 1.00 1.00 N ATOM 574 CA PRO A 41 -15.904 10.857 15.112 1.00 1.00 C ATOM 575 C PRO A 41 -16.115 11.662 13.828 1.00 1.00 C ATOM 576 O PRO A 41 -17.245 12.008 13.486 1.00 1.00 O ATOM 577 CB PRO A 41 -16.458 11.551 16.345 1.00 1.00 C ATOM 578 CG PRO A 41 -15.258 12.147 17.062 1.00 1.00 C ATOM 579 CD PRO A 41 -14.004 11.525 16.469 1.00 1.00 C ATOM 0 HA PRO A 41 -16.422 9.914 14.935 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -17.173 12.326 16.069 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -16.985 10.845 16.987 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -15.241 13.230 16.941 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -15.314 11.946 18.132 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -13.321 12.289 16.098 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -13.459 10.945 17.214 1.00 1.00 H new ATOM 587 N GLY A 42 -15.010 11.937 13.151 1.00 1.00 N ATOM 588 CA GLY A 42 -15.059 12.695 11.912 1.00 1.00 C ATOM 589 C GLY A 42 -14.745 11.801 10.710 1.00 1.00 C ATOM 590 O GLY A 42 -14.682 12.278 9.577 1.00 1.00 O ATOM 0 H GLY A 42 -14.075 11.648 13.437 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -16.047 13.139 11.792 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -14.344 13.517 11.955 1.00 1.00 H new ATOM 594 N VAL A 43 -14.558 10.522 10.997 1.00 1.00 N ATOM 595 CA VAL A 43 -14.252 9.558 9.954 1.00 1.00 C ATOM 596 C VAL A 43 -14.891 8.212 10.305 1.00 1.00 C ATOM 597 O VAL A 43 -15.610 8.103 11.297 1.00 1.00 O ATOM 598 CB VAL A 43 -12.738 9.467 9.753 1.00 1.00 C ATOM 599 CG1 VAL A 43 -12.082 10.842 9.889 1.00 1.00 C ATOM 600 CG2 VAL A 43 -12.115 8.463 10.726 1.00 1.00 C ATOM 0 H VAL A 43 -14.612 10.130 11.937 1.00 1.00 H new ATOM 0 HA VAL A 43 -14.674 9.879 9.002 1.00 1.00 H new ATOM 0 HB VAL A 43 -12.556 9.109 8.740 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -11.006 10.748 9.742 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -12.493 11.517 9.139 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -12.278 11.242 10.884 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -11.038 8.417 10.562 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -12.313 8.778 11.750 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -12.549 7.477 10.559 1.00 1.00 H new ATOM 610 N PRO A 44 -14.598 7.196 9.450 1.00 1.00 N ATOM 611 CA PRO A 44 -15.136 5.863 9.660 1.00 1.00 C ATOM 612 C PRO A 44 -14.411 5.154 10.805 1.00 1.00 C ATOM 613 O PRO A 44 -13.188 5.024 10.784 1.00 1.00 O ATOM 614 CB PRO A 44 -14.970 5.157 8.325 1.00 1.00 C ATOM 615 CG PRO A 44 -13.931 5.957 7.557 1.00 1.00 C ATOM 616 CD PRO A 44 -13.751 7.290 8.265 1.00 1.00 C ATOM 0 HA PRO A 44 -16.183 5.875 9.962 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.644 4.127 8.466 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -15.915 5.121 7.782 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -12.986 5.416 7.517 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.253 6.112 6.527 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -12.708 7.457 8.535 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -14.052 8.121 7.627 1.00 1.00 H new ATOM 624 N TRP A 45 -15.196 4.713 11.777 1.00 1.00 N ATOM 625 CA TRP A 45 -14.645 4.021 12.929 1.00 1.00 C ATOM 626 C TRP A 45 -14.218 2.621 12.480 1.00 1.00 C ATOM 627 O TRP A 45 -13.079 2.215 12.701 1.00 1.00 O ATOM 628 CB TRP A 45 -15.644 3.999 14.087 1.00 1.00 C ATOM 629 CG TRP A 45 -16.358 5.332 14.319 1.00 1.00 C ATOM 630 CD1 TRP A 45 -16.117 6.510 13.728 1.00 1.00 C ATOM 631 CD2 TRP A 45 -17.447 5.577 15.234 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.967 7.493 14.193 1.00 1.00 N ATOM 633 CE2 TRP A 45 -17.801 6.907 15.139 1.00 1.00 C ATOM 634 CE3 TRP A 45 -18.109 4.703 16.114 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -18.829 7.483 15.895 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -19.134 5.294 16.863 1.00 1.00 C ATOM 637 CH2 TRP A 45 -19.504 6.631 16.779 1.00 1.00 C ATOM 0 H TRP A 45 -16.210 4.822 11.790 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.770 4.546 13.311 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.390 3.228 13.895 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -15.120 3.716 15.000 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -15.353 6.670 12.981 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -16.981 8.469 13.897 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.848 3.659 16.205 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -19.088 8.527 15.802 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.675 4.666 17.555 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -20.308 7.011 17.392 1.00 1.00 H new ATOM 648 N CYS A 46 -15.158 1.923 11.859 1.00 1.00 N ATOM 649 CA CYS A 46 -14.894 0.578 11.376 1.00 1.00 C ATOM 650 C CYS A 46 -14.414 0.673 9.926 1.00 1.00 C ATOM 651 O CYS A 46 -15.193 0.997 9.032 1.00 1.00 O ATOM 652 CB CYS A 46 -16.122 -0.323 11.514 1.00 1.00 C ATOM 653 SG CYS A 46 -16.282 -1.163 13.131 1.00 1.00 S ATOM 0 H CYS A 46 -16.103 2.263 11.679 1.00 1.00 H new ATOM 0 HA CYS A 46 -14.116 0.116 11.984 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -17.016 0.277 11.342 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -16.090 -1.079 10.730 1.00 1.00 H new ATOM 658 N PHE A 47 -13.135 0.384 9.740 1.00 1.00 N ATOM 659 CA PHE A 47 -12.541 0.432 8.414 1.00 1.00 C ATOM 660 C PHE A 47 -11.524 -0.694 8.227 1.00 1.00 C ATOM 661 O PHE A 47 -11.570 -1.701 8.933 1.00 1.00 O ATOM 662 CB PHE A 47 -11.824 1.777 8.294 1.00 1.00 C ATOM 663 CG PHE A 47 -10.958 2.130 9.505 1.00 1.00 C ATOM 664 CD1 PHE A 47 -10.098 1.210 10.017 1.00 1.00 C ATOM 665 CD2 PHE A 47 -11.047 3.365 10.068 1.00 1.00 C ATOM 666 CE1 PHE A 47 -9.294 1.538 11.141 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.242 3.693 11.192 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.383 2.772 11.705 1.00 1.00 C ATOM 0 H PHE A 47 -12.493 0.116 10.485 1.00 1.00 H new ATOM 0 HA PHE A 47 -13.315 0.315 7.655 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -11.197 1.765 7.403 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -12.567 2.562 8.150 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -10.026 0.230 9.569 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.729 4.096 9.661 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.611 0.807 11.548 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.312 4.674 11.639 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.772 3.021 12.560 1.00 1.00 H new ATOM 678 N LYS A 48 -10.628 -0.487 7.273 1.00 1.00 N ATOM 679 CA LYS A 48 -9.601 -1.473 6.984 1.00 1.00 C ATOM 680 C LYS A 48 -8.227 -0.881 7.306 1.00 1.00 C ATOM 681 O LYS A 48 -7.955 0.275 6.986 1.00 1.00 O ATOM 682 CB LYS A 48 -9.731 -1.978 5.546 1.00 1.00 C ATOM 683 CG LYS A 48 -10.452 -0.952 4.668 1.00 1.00 C ATOM 684 CD LYS A 48 -11.905 -0.773 5.115 1.00 1.00 C ATOM 685 CE LYS A 48 -12.872 -1.048 3.962 1.00 1.00 C ATOM 686 NZ LYS A 48 -12.915 -2.496 3.655 1.00 1.00 N ATOM 0 H LYS A 48 -10.592 0.349 6.690 1.00 1.00 H new ATOM 0 HA LYS A 48 -9.727 -2.351 7.618 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -8.741 -2.181 5.137 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -10.279 -2.920 5.536 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.932 0.005 4.718 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.425 -1.275 3.627 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -12.120 -1.448 5.943 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -12.053 0.242 5.484 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -13.870 -0.696 4.225 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -12.560 -0.492 3.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -13.855 -2.745 3.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -12.193 -2.721 2.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -12.728 -3.040 4.521 1.00 1.00 H new ATOM 700 N PRO A 49 -7.375 -1.721 7.951 1.00 1.00 N ATOM 701 CA PRO A 49 -6.036 -1.293 8.318 1.00 1.00 C ATOM 702 C PRO A 49 -5.120 -1.246 7.095 1.00 1.00 C ATOM 703 O PRO A 49 -5.549 -1.546 5.982 1.00 1.00 O ATOM 704 CB PRO A 49 -5.577 -2.293 9.367 1.00 1.00 C ATOM 705 CG PRO A 49 -6.481 -3.505 9.211 1.00 1.00 C ATOM 706 CD PRO A 49 -7.662 -3.097 8.345 1.00 1.00 C ATOM 0 HA PRO A 49 -6.013 -0.279 8.717 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -4.532 -2.564 9.218 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.657 -1.872 10.369 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.937 -4.330 8.751 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -6.824 -3.853 10.185 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -7.758 -3.746 7.475 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -8.600 -3.163 8.897 1.00 1.00 H new ATOM 714 N LEU A 50 -3.874 -0.869 7.343 1.00 1.00 N ATOM 715 CA LEU A 50 -2.892 -0.780 6.274 1.00 1.00 C ATOM 716 C LEU A 50 -1.654 -1.594 6.656 1.00 1.00 C ATOM 717 O LEU A 50 -0.571 -1.038 6.831 1.00 1.00 O ATOM 718 CB LEU A 50 -2.589 0.682 5.946 1.00 1.00 C ATOM 719 CG LEU A 50 -2.065 1.535 7.104 1.00 1.00 C ATOM 720 CD1 LEU A 50 -0.555 1.752 6.985 1.00 1.00 C ATOM 721 CD2 LEU A 50 -2.828 2.858 7.201 1.00 1.00 C ATOM 0 H LEU A 50 -3.522 -0.622 8.268 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.288 -1.213 5.356 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -1.855 0.708 5.140 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.499 1.144 5.563 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.241 0.994 8.033 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -0.208 2.361 7.820 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -0.046 0.788 7.003 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -0.333 2.262 6.047 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.436 3.444 8.032 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.707 3.417 6.273 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.886 2.656 7.367 1.00 1.00 H new ATOM 733 N PRO A 51 -1.861 -2.933 6.777 1.00 1.00 N ATOM 734 CA PRO A 51 -0.775 -3.829 7.134 1.00 1.00 C ATOM 735 C PRO A 51 0.168 -4.047 5.950 1.00 1.00 C ATOM 736 O PRO A 51 0.045 -3.383 4.922 1.00 1.00 O ATOM 737 CB PRO A 51 -1.456 -5.109 7.594 1.00 1.00 C ATOM 738 CG PRO A 51 -2.870 -5.050 7.042 1.00 1.00 C ATOM 739 CD PRO A 51 -3.131 -3.626 6.576 1.00 1.00 C ATOM 0 HA PRO A 51 -0.139 -3.426 7.922 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.928 -5.987 7.223 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -1.464 -5.178 8.682 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -2.986 -5.750 6.214 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -3.591 -5.339 7.807 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -3.435 -3.601 5.529 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -3.932 -3.161 7.152 1.00 1.00 H new ATOM 747 N ALA A 52 1.090 -4.981 6.133 1.00 1.00 N ATOM 748 CA ALA A 52 2.055 -5.294 5.092 1.00 1.00 C ATOM 749 C ALA A 52 2.148 -6.812 4.930 1.00 1.00 C ATOM 750 O ALA A 52 1.401 -7.555 5.565 1.00 1.00 O ATOM 751 CB ALA A 52 3.404 -4.661 5.439 1.00 1.00 C ATOM 0 H ALA A 52 1.189 -5.531 6.986 1.00 1.00 H new ATOM 0 HA ALA A 52 1.737 -4.879 4.136 1.00 1.00 H new ATOM 0 HB1 ALA A 52 4.128 -4.896 4.658 1.00 1.00 H new ATOM 0 HB2 ALA A 52 3.290 -3.580 5.515 1.00 1.00 H new ATOM 0 HB3 ALA A 52 3.757 -5.056 6.392 1.00 1.00 H new ATOM 757 N GLN A 53 3.070 -7.229 4.074 1.00 1.00 N ATOM 758 CA GLN A 53 3.271 -8.645 3.820 1.00 1.00 C ATOM 759 C GLN A 53 3.608 -9.376 5.122 1.00 1.00 C ATOM 760 O GLN A 53 4.774 -9.477 5.497 1.00 1.00 O ATOM 761 CB GLN A 53 4.361 -8.865 2.769 1.00 1.00 C ATOM 762 CG GLN A 53 3.764 -8.914 1.362 1.00 1.00 C ATOM 763 CD GLN A 53 4.578 -8.055 0.392 1.00 1.00 C ATOM 764 OE1 GLN A 53 5.101 -7.009 0.737 1.00 1.00 O ATOM 765 NE2 GLN A 53 4.655 -8.555 -0.839 1.00 1.00 N ATOM 0 H GLN A 53 3.686 -6.610 3.547 1.00 1.00 H new ATOM 0 HA GLN A 53 2.343 -9.058 3.424 1.00 1.00 H new ATOM 0 HB2 GLN A 53 5.096 -8.062 2.828 1.00 1.00 H new ATOM 0 HB3 GLN A 53 4.889 -9.796 2.977 1.00 1.00 H new ATOM 0 HG2 GLN A 53 3.740 -9.945 1.009 1.00 1.00 H new ATOM 0 HG3 GLN A 53 2.733 -8.562 1.388 1.00 1.00 H new ATOM 0 HE21 GLN A 53 4.193 -9.437 -1.061 1.00 1.00 H new ATOM 0 HE22 GLN A 53 5.176 -8.056 -1.560 1.00 1.00 H new ATOM 774 N GLU A 54 2.564 -9.867 5.775 1.00 1.00 N ATOM 775 CA GLU A 54 2.736 -10.585 7.027 1.00 1.00 C ATOM 776 C GLU A 54 3.420 -9.691 8.062 1.00 1.00 C ATOM 777 O GLU A 54 3.579 -10.083 9.218 1.00 1.00 O ATOM 778 CB GLU A 54 3.524 -11.878 6.813 1.00 1.00 C ATOM 779 CG GLU A 54 2.616 -13.103 6.953 1.00 1.00 C ATOM 780 CD GLU A 54 1.613 -13.177 5.801 1.00 1.00 C ATOM 781 OE1 GLU A 54 0.530 -12.573 5.952 1.00 1.00 O ATOM 782 OE2 GLU A 54 1.953 -13.836 4.794 1.00 1.00 O ATOM 0 H GLU A 54 1.597 -9.782 5.461 1.00 1.00 H new ATOM 0 HA GLU A 54 1.751 -10.857 7.406 1.00 1.00 H new ATOM 0 HB2 GLU A 54 3.980 -11.870 5.823 1.00 1.00 H new ATOM 0 HB3 GLU A 54 4.336 -11.938 7.538 1.00 1.00 H new ATOM 0 HG2 GLU A 54 3.222 -14.009 6.971 1.00 1.00 H new ATOM 0 HG3 GLU A 54 2.082 -13.058 7.902 1.00 1.00 H new ATOM 789 N SER A 55 3.805 -8.506 7.613 1.00 1.00 N ATOM 790 CA SER A 55 4.468 -7.553 8.486 1.00 1.00 C ATOM 791 C SER A 55 3.862 -7.619 9.889 1.00 1.00 C ATOM 792 O SER A 55 4.368 -8.330 10.755 1.00 1.00 O ATOM 793 CB SER A 55 4.366 -6.131 7.929 1.00 1.00 C ATOM 794 OG SER A 55 5.443 -5.823 7.048 1.00 1.00 O ATOM 0 H SER A 55 3.670 -8.184 6.655 1.00 1.00 H new ATOM 0 HA SER A 55 5.524 -7.817 8.541 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.420 -6.016 7.399 1.00 1.00 H new ATOM 0 HB3 SER A 55 4.358 -5.419 8.754 1.00 1.00 H new ATOM 0 HG SER A 55 6.274 -5.743 7.562 1.00 1.00 H new ATOM 800 N GLU A 56 2.785 -6.868 10.069 1.00 1.00 N ATOM 801 CA GLU A 56 2.104 -6.831 11.352 1.00 1.00 C ATOM 802 C GLU A 56 3.016 -6.225 12.421 1.00 1.00 C ATOM 803 O GLU A 56 3.235 -6.828 13.470 1.00 1.00 O ATOM 804 CB GLU A 56 1.633 -8.228 11.762 1.00 1.00 C ATOM 805 CG GLU A 56 0.176 -8.456 11.357 1.00 1.00 C ATOM 806 CD GLU A 56 -0.313 -9.832 11.816 1.00 1.00 C ATOM 807 OE1 GLU A 56 -0.324 -10.048 13.047 1.00 1.00 O ATOM 808 OE2 GLU A 56 -0.665 -10.635 10.925 1.00 1.00 O ATOM 0 H GLU A 56 2.367 -6.280 9.347 1.00 1.00 H new ATOM 0 HA GLU A 56 1.222 -6.199 11.255 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.266 -8.981 11.294 1.00 1.00 H new ATOM 0 HB3 GLU A 56 1.738 -8.349 12.840 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -0.452 -7.679 11.793 1.00 1.00 H new ATOM 0 HG3 GLU A 56 0.079 -8.374 10.274 1.00 1.00 H new ATOM 815 N GLU A 57 3.523 -5.040 12.116 1.00 1.00 N ATOM 816 CA GLU A 57 4.407 -4.344 13.038 1.00 1.00 C ATOM 817 C GLU A 57 5.152 -3.222 12.314 1.00 1.00 C ATOM 818 O GLU A 57 5.438 -2.181 12.903 1.00 1.00 O ATOM 819 CB GLU A 57 5.386 -5.318 13.696 1.00 1.00 C ATOM 820 CG GLU A 57 5.990 -6.271 12.664 1.00 1.00 C ATOM 821 CD GLU A 57 7.186 -7.026 13.248 1.00 1.00 C ATOM 822 OE1 GLU A 57 7.016 -7.598 14.346 1.00 1.00 O ATOM 823 OE2 GLU A 57 8.244 -7.013 12.583 1.00 1.00 O ATOM 0 H GLU A 57 3.339 -4.543 11.244 1.00 1.00 H new ATOM 0 HA GLU A 57 3.801 -3.899 13.828 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.182 -4.761 14.191 1.00 1.00 H new ATOM 0 HB3 GLU A 57 4.871 -5.891 14.467 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.233 -6.982 12.334 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.305 -5.709 11.785 1.00 1.00 H new ATOM 830 N CYS A 58 5.445 -3.472 11.045 1.00 1.00 N ATOM 831 CA CYS A 58 6.152 -2.495 10.235 1.00 1.00 C ATOM 832 C CYS A 58 5.126 -1.521 9.652 1.00 1.00 C ATOM 833 O CYS A 58 5.465 -0.679 8.822 1.00 1.00 O ATOM 834 CB CYS A 58 6.988 -3.165 9.142 1.00 1.00 C ATOM 835 SG CYS A 58 8.247 -4.344 9.753 1.00 1.00 S ATOM 0 H CYS A 58 5.206 -4.336 10.559 1.00 1.00 H new ATOM 0 HA CYS A 58 6.859 -1.947 10.857 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.317 -3.691 8.462 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.488 -2.390 8.560 1.00 1.00 H new ATOM 840 N VAL A 59 3.892 -1.668 10.110 1.00 1.00 N ATOM 841 CA VAL A 59 2.814 -0.812 9.645 1.00 1.00 C ATOM 842 C VAL A 59 3.045 0.612 10.153 1.00 1.00 C ATOM 843 O VAL A 59 3.311 0.817 11.336 1.00 1.00 O ATOM 844 CB VAL A 59 1.464 -1.390 10.075 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.316 -0.735 9.304 1.00 1.00 C ATOM 846 CG2 VAL A 59 1.440 -2.910 9.909 1.00 1.00 C ATOM 0 H VAL A 59 3.614 -2.367 10.799 1.00 1.00 H new ATOM 0 HA VAL A 59 2.801 -0.770 8.556 1.00 1.00 H new ATOM 0 HB VAL A 59 1.326 -1.167 11.133 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -0.632 -1.164 9.629 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.314 0.338 9.497 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.447 -0.912 8.236 1.00 1.00 H new ATOM 0 HG21 VAL A 59 0.469 -3.295 10.222 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.611 -3.165 8.863 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.222 -3.356 10.524 1.00 1.00 H new ATOM 856 N MET A 60 2.932 1.559 9.234 1.00 1.00 N ATOM 857 CA MET A 60 3.124 2.960 9.574 1.00 1.00 C ATOM 858 C MET A 60 3.011 3.846 8.332 1.00 1.00 C ATOM 859 O MET A 60 3.330 3.414 7.225 1.00 1.00 O ATOM 860 CB MET A 60 4.503 3.145 10.210 1.00 1.00 C ATOM 861 CG MET A 60 5.588 3.275 9.139 1.00 1.00 C ATOM 862 SD MET A 60 7.200 3.047 9.872 1.00 1.00 S ATOM 863 CE MET A 60 6.978 1.440 10.615 1.00 1.00 C ATOM 0 H MET A 60 2.710 1.385 8.254 1.00 1.00 H new ATOM 0 HA MET A 60 2.346 3.254 10.278 1.00 1.00 H new ATOM 0 HB2 MET A 60 4.500 4.035 10.840 1.00 1.00 H new ATOM 0 HB3 MET A 60 4.726 2.297 10.857 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.428 2.534 8.355 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.529 4.256 8.667 1.00 1.00 H new ATOM 0 HE1 MET A 60 7.940 1.064 10.964 1.00 1.00 H new ATOM 0 HE2 MET A 60 6.292 1.521 11.459 1.00 1.00 H new ATOM 0 HE3 MET A 60 6.566 0.752 9.877 1.00 1.00 H new ATOM 873 N GLN A 61 2.555 5.070 8.559 1.00 1.00 N ATOM 874 CA GLN A 61 2.396 6.021 7.472 1.00 1.00 C ATOM 875 C GLN A 61 3.743 6.656 7.120 1.00 1.00 C ATOM 876 O GLN A 61 4.672 6.638 7.927 1.00 1.00 O ATOM 877 CB GLN A 61 1.362 7.091 7.828 1.00 1.00 C ATOM 878 CG GLN A 61 0.162 6.476 8.550 1.00 1.00 C ATOM 879 CD GLN A 61 0.103 6.938 10.007 1.00 1.00 C ATOM 880 OE1 GLN A 61 0.667 7.950 10.387 1.00 1.00 O ATOM 881 NE2 GLN A 61 -0.609 6.142 10.798 1.00 1.00 N ATOM 0 H GLN A 61 2.291 5.424 9.478 1.00 1.00 H new ATOM 0 HA GLN A 61 2.030 5.485 6.596 1.00 1.00 H new ATOM 0 HB2 GLN A 61 1.822 7.850 8.461 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.027 7.594 6.921 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.758 6.757 8.038 1.00 1.00 H new ATOM 0 HG3 GLN A 61 0.228 5.389 8.512 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -1.056 5.309 10.415 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -0.709 6.364 11.789 1.00 1.00 H new ATOM 890 N VAL A 62 3.808 7.200 5.914 1.00 1.00 N ATOM 891 CA VAL A 62 5.026 7.840 5.446 1.00 1.00 C ATOM 892 C VAL A 62 5.523 8.822 6.509 1.00 1.00 C ATOM 893 O VAL A 62 6.722 9.072 6.614 1.00 1.00 O ATOM 894 CB VAL A 62 4.779 8.502 4.088 1.00 1.00 C ATOM 895 CG1 VAL A 62 3.633 9.511 4.170 1.00 1.00 C ATOM 896 CG2 VAL A 62 6.056 9.163 3.562 1.00 1.00 C ATOM 0 H VAL A 62 3.037 7.211 5.246 1.00 1.00 H new ATOM 0 HA VAL A 62 5.813 7.101 5.295 1.00 1.00 H new ATOM 0 HB VAL A 62 4.489 7.723 3.383 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.479 9.967 3.192 1.00 1.00 H new ATOM 0 HG12 VAL A 62 2.721 9.001 4.481 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.881 10.285 4.896 1.00 1.00 H new ATOM 0 HG21 VAL A 62 5.855 9.626 2.596 1.00 1.00 H new ATOM 0 HG22 VAL A 62 6.389 9.925 4.267 1.00 1.00 H new ATOM 0 HG23 VAL A 62 6.835 8.409 3.448 1.00 1.00 H new ATOM 906 N SER A 63 4.576 9.350 7.270 1.00 1.00 N ATOM 907 CA SER A 63 4.903 10.298 8.321 1.00 1.00 C ATOM 908 C SER A 63 5.134 9.558 9.640 1.00 1.00 C ATOM 909 O SER A 63 4.883 10.102 10.714 1.00 1.00 O ATOM 910 CB SER A 63 3.796 11.342 8.485 1.00 1.00 C ATOM 911 OG SER A 63 2.841 10.957 9.470 1.00 1.00 O ATOM 0 H SER A 63 3.582 9.139 7.180 1.00 1.00 H new ATOM 0 HA SER A 63 5.818 10.819 8.039 1.00 1.00 H new ATOM 0 HB2 SER A 63 4.238 12.299 8.763 1.00 1.00 H new ATOM 0 HB3 SER A 63 3.292 11.489 7.530 1.00 1.00 H new ATOM 0 HG SER A 63 3.292 10.828 10.330 1.00 1.00 H new ATOM 917 N ALA A 64 5.611 8.328 9.516 1.00 1.00 N ATOM 918 CA ALA A 64 5.879 7.507 10.685 1.00 1.00 C ATOM 919 C ALA A 64 7.321 7.003 10.628 1.00 1.00 C ATOM 920 O ALA A 64 8.126 7.311 11.507 1.00 1.00 O ATOM 921 CB ALA A 64 4.863 6.365 10.750 1.00 1.00 C ATOM 0 H ALA A 64 5.819 7.880 8.624 1.00 1.00 H new ATOM 0 HA ALA A 64 5.771 8.092 11.599 1.00 1.00 H new ATOM 0 HB1 ALA A 64 5.064 5.749 11.627 1.00 1.00 H new ATOM 0 HB2 ALA A 64 3.856 6.777 10.819 1.00 1.00 H new ATOM 0 HB3 ALA A 64 4.944 5.754 9.851 1.00 1.00 H new ATOM 927 N ARG A 65 7.606 6.235 9.587 1.00 1.00 N ATOM 928 CA ARG A 65 8.938 5.684 9.405 1.00 1.00 C ATOM 929 C ARG A 65 9.995 6.689 9.868 1.00 1.00 C ATOM 930 O ARG A 65 9.748 7.894 9.881 1.00 1.00 O ATOM 931 CB ARG A 65 9.191 5.328 7.938 1.00 1.00 C ATOM 932 CG ARG A 65 8.248 6.103 7.015 1.00 1.00 C ATOM 933 CD ARG A 65 8.951 6.492 5.714 1.00 1.00 C ATOM 934 NE ARG A 65 8.862 7.955 5.508 1.00 1.00 N ATOM 935 CZ ARG A 65 9.359 8.865 6.358 1.00 1.00 C ATOM 936 NH1 ARG A 65 9.982 8.468 7.475 1.00 1.00 N ATOM 937 NH2 ARG A 65 9.231 10.172 6.089 1.00 1.00 N ATOM 0 H ARG A 65 6.937 5.981 8.860 1.00 1.00 H new ATOM 0 HA ARG A 65 9.007 4.776 10.004 1.00 1.00 H new ATOM 0 HB2 ARG A 65 10.226 5.553 7.679 1.00 1.00 H new ATOM 0 HB3 ARG A 65 9.051 4.257 7.791 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.372 5.495 6.791 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.892 7.000 7.523 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.996 6.184 5.750 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.494 5.970 4.874 1.00 1.00 H new ATOM 0 HE ARG A 65 8.393 8.292 4.667 1.00 1.00 H new ATOM 0 HH11 ARG A 65 10.078 7.473 7.679 1.00 1.00 H new ATOM 0 HH12 ARG A 65 10.360 9.160 8.122 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.756 10.473 5.238 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.609 10.865 6.735 1.00 1.00 H new ATOM 951 N LYS A 66 11.151 6.155 10.236 1.00 1.00 N ATOM 952 CA LYS A 66 12.247 6.990 10.698 1.00 1.00 C ATOM 953 C LYS A 66 13.382 6.948 9.673 1.00 1.00 C ATOM 954 O LYS A 66 13.396 7.733 8.726 1.00 1.00 O ATOM 955 CB LYS A 66 12.677 6.579 12.108 1.00 1.00 C ATOM 956 CG LYS A 66 12.158 7.572 13.151 1.00 1.00 C ATOM 957 CD LYS A 66 12.591 8.999 12.810 1.00 1.00 C ATOM 958 CE LYS A 66 12.733 9.846 14.076 1.00 1.00 C ATOM 959 NZ LYS A 66 11.414 10.360 14.507 1.00 1.00 N ATOM 0 H LYS A 66 11.352 5.155 10.224 1.00 1.00 H new ATOM 0 HA LYS A 66 11.926 8.029 10.777 1.00 1.00 H new ATOM 0 HB2 LYS A 66 12.299 5.581 12.331 1.00 1.00 H new ATOM 0 HB3 LYS A 66 13.765 6.527 12.160 1.00 1.00 H new ATOM 0 HG2 LYS A 66 11.070 7.520 13.199 1.00 1.00 H new ATOM 0 HG3 LYS A 66 12.534 7.299 14.137 1.00 1.00 H new ATOM 0 HD2 LYS A 66 13.540 8.977 12.275 1.00 1.00 H new ATOM 0 HD3 LYS A 66 11.860 9.455 12.143 1.00 1.00 H new ATOM 0 HE2 LYS A 66 13.175 9.248 14.873 1.00 1.00 H new ATOM 0 HE3 LYS A 66 13.411 10.679 13.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 11.529 10.933 15.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 11.007 10.948 13.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.778 9.561 14.705 1.00 1.00 H new ATOM 973 N ASN A 67 14.306 6.025 9.897 1.00 1.00 N ATOM 974 CA ASN A 67 15.441 5.870 9.005 1.00 1.00 C ATOM 975 C ASN A 67 16.418 4.854 9.600 1.00 1.00 C ATOM 976 O ASN A 67 17.030 5.108 10.636 1.00 1.00 O ATOM 977 CB ASN A 67 16.186 7.195 8.828 1.00 1.00 C ATOM 978 CG ASN A 67 17.550 6.973 8.170 1.00 1.00 C ATOM 979 OD1 ASN A 67 17.804 5.964 7.533 1.00 1.00 O ATOM 980 ND2 ASN A 67 18.410 7.970 8.359 1.00 1.00 N ATOM 0 H ASN A 67 14.291 5.377 10.684 1.00 1.00 H new ATOM 0 HA ASN A 67 15.067 5.534 8.038 1.00 1.00 H new ATOM 0 HB2 ASN A 67 15.590 7.873 8.217 1.00 1.00 H new ATOM 0 HB3 ASN A 67 16.320 7.674 9.798 1.00 1.00 H new ATOM 0 HD21 ASN A 67 19.347 7.918 7.960 1.00 1.00 H new ATOM 0 HD22 ASN A 67 18.132 8.787 8.903 1.00 1.00 H new ATOM 987 N CYS A 68 16.533 3.724 8.919 1.00 1.00 N ATOM 988 CA CYS A 68 17.424 2.668 9.367 1.00 1.00 C ATOM 989 C CYS A 68 18.526 2.493 8.320 1.00 1.00 C ATOM 990 O CYS A 68 19.607 3.063 8.450 1.00 1.00 O ATOM 991 CB CYS A 68 16.669 1.362 9.625 1.00 1.00 C ATOM 992 SG CYS A 68 17.663 0.045 10.418 1.00 1.00 S ATOM 0 H CYS A 68 16.024 3.517 8.060 1.00 1.00 H new ATOM 0 HA CYS A 68 17.871 2.947 10.321 1.00 1.00 H new ATOM 0 HB2 CYS A 68 15.806 1.576 10.256 1.00 1.00 H new ATOM 0 HB3 CYS A 68 16.285 0.987 8.676 1.00 1.00 H new ATOM 997 N GLY A 69 18.214 1.699 7.306 1.00 1.00 N ATOM 998 CA GLY A 69 19.164 1.442 6.237 1.00 1.00 C ATOM 999 C GLY A 69 19.403 2.700 5.399 1.00 1.00 C ATOM 1000 O GLY A 69 19.359 3.814 5.920 1.00 1.00 O ATOM 0 H GLY A 69 17.317 1.225 7.202 1.00 1.00 H new ATOM 0 HA2 GLY A 69 20.108 1.098 6.660 1.00 1.00 H new ATOM 0 HA3 GLY A 69 18.790 0.641 5.599 1.00 1.00 H new ATOM 1004 N TYR A 70 19.648 2.480 4.117 1.00 1.00 N ATOM 1005 CA TYR A 70 19.892 3.582 3.202 1.00 1.00 C ATOM 1006 C TYR A 70 18.901 3.559 2.037 1.00 1.00 C ATOM 1007 O TYR A 70 18.337 2.513 1.718 1.00 1.00 O ATOM 1008 CB TYR A 70 21.307 3.372 2.657 1.00 1.00 C ATOM 1009 CG TYR A 70 21.846 1.954 2.855 1.00 1.00 C ATOM 1010 CD1 TYR A 70 22.086 1.479 4.129 1.00 1.00 C ATOM 1011 CD2 TYR A 70 22.092 1.150 1.762 1.00 1.00 C ATOM 1012 CE1 TYR A 70 22.593 0.145 4.316 1.00 1.00 C ATOM 1013 CE2 TYR A 70 22.600 -0.185 1.949 1.00 1.00 C ATOM 1014 CZ TYR A 70 22.825 -0.622 3.217 1.00 1.00 C ATOM 1015 OH TYR A 70 23.304 -1.882 3.393 1.00 1.00 O ATOM 0 H TYR A 70 19.683 1.555 3.689 1.00 1.00 H new ATOM 0 HA TYR A 70 19.778 4.538 3.714 1.00 1.00 H new ATOM 0 HB2 TYR A 70 21.314 3.607 1.593 1.00 1.00 H new ATOM 0 HB3 TYR A 70 21.981 4.077 3.143 1.00 1.00 H new ATOM 0 HD1 TYR A 70 21.893 2.108 4.985 1.00 1.00 H new ATOM 0 HD2 TYR A 70 21.904 1.521 0.765 1.00 1.00 H new ATOM 0 HE1 TYR A 70 22.785 -0.239 5.307 1.00 1.00 H new ATOM 0 HE2 TYR A 70 22.798 -0.824 1.101 1.00 1.00 H new ATOM 0 HH TYR A 70 23.420 -2.313 2.520 1.00 1.00 H new ATOM 1025 N PRO A 71 18.713 4.755 1.418 1.00 1.00 N ATOM 1026 CA PRO A 71 17.800 4.881 0.295 1.00 1.00 C ATOM 1027 C PRO A 71 18.404 4.280 -0.975 1.00 1.00 C ATOM 1028 O PRO A 71 18.982 4.997 -1.792 1.00 1.00 O ATOM 1029 CB PRO A 71 17.527 6.371 0.175 1.00 1.00 C ATOM 1030 CG PRO A 71 18.652 7.063 0.930 1.00 1.00 C ATOM 1031 CD PRO A 71 19.364 6.015 1.769 1.00 1.00 C ATOM 0 HA PRO A 71 16.872 4.330 0.445 1.00 1.00 H new ATOM 0 HB2 PRO A 71 17.509 6.682 -0.870 1.00 1.00 H new ATOM 0 HB3 PRO A 71 16.556 6.626 0.601 1.00 1.00 H new ATOM 0 HG2 PRO A 71 19.347 7.531 0.234 1.00 1.00 H new ATOM 0 HG3 PRO A 71 18.255 7.855 1.565 1.00 1.00 H new ATOM 0 HD2 PRO A 71 20.430 5.986 1.545 1.00 1.00 H new ATOM 0 HD3 PRO A 71 19.268 6.228 2.834 1.00 1.00 H new ATOM 1039 N GLY A 72 18.253 2.970 -1.101 1.00 1.00 N ATOM 1040 CA GLY A 72 18.778 2.264 -2.257 1.00 1.00 C ATOM 1041 C GLY A 72 18.987 0.780 -1.947 1.00 1.00 C ATOM 1042 O GLY A 72 18.951 -0.058 -2.846 1.00 1.00 O ATOM 0 H GLY A 72 17.774 2.379 -0.421 1.00 1.00 H new ATOM 0 HA2 GLY A 72 18.090 2.370 -3.096 1.00 1.00 H new ATOM 0 HA3 GLY A 72 19.724 2.712 -2.562 1.00 1.00 H new ATOM 1046 N ILE A 73 19.202 0.502 -0.669 1.00 1.00 N ATOM 1047 CA ILE A 73 19.417 -0.866 -0.227 1.00 1.00 C ATOM 1048 C ILE A 73 18.359 -1.773 -0.859 1.00 1.00 C ATOM 1049 O ILE A 73 17.325 -1.297 -1.324 1.00 1.00 O ATOM 1050 CB ILE A 73 19.455 -0.935 1.301 1.00 1.00 C ATOM 1051 CG1 ILE A 73 20.137 -2.221 1.773 1.00 1.00 C ATOM 1052 CG2 ILE A 73 18.053 -0.781 1.892 1.00 1.00 C ATOM 1053 CD1 ILE A 73 20.216 -2.270 3.301 1.00 1.00 C ATOM 0 H ILE A 73 19.232 1.200 0.074 1.00 1.00 H new ATOM 0 HA ILE A 73 20.389 -1.228 -0.563 1.00 1.00 H new ATOM 0 HB ILE A 73 20.052 -0.099 1.666 1.00 1.00 H new ATOM 0 HG12 ILE A 73 19.585 -3.086 1.406 1.00 1.00 H new ATOM 0 HG13 ILE A 73 21.140 -2.281 1.351 1.00 1.00 H new ATOM 0 HG21 ILE A 73 18.109 -0.834 2.979 1.00 1.00 H new ATOM 0 HG22 ILE A 73 17.637 0.182 1.596 1.00 1.00 H new ATOM 0 HG23 ILE A 73 17.412 -1.582 1.522 1.00 1.00 H new ATOM 0 HD11 ILE A 73 20.705 -3.194 3.611 1.00 1.00 H new ATOM 0 HD12 ILE A 73 20.790 -1.417 3.663 1.00 1.00 H new ATOM 0 HD13 ILE A 73 19.210 -2.234 3.719 1.00 1.00 H new ATOM 1065 N SER A 74 18.653 -3.065 -0.853 1.00 1.00 N ATOM 1066 CA SER A 74 17.741 -4.043 -1.418 1.00 1.00 C ATOM 1067 C SER A 74 16.630 -4.364 -0.417 1.00 1.00 C ATOM 1068 O SER A 74 16.604 -3.815 0.684 1.00 1.00 O ATOM 1069 CB SER A 74 18.480 -5.322 -1.816 1.00 1.00 C ATOM 1070 OG SER A 74 19.894 -5.140 -1.829 1.00 1.00 O ATOM 0 H SER A 74 19.511 -3.457 -0.465 1.00 1.00 H new ATOM 0 HA SER A 74 17.299 -3.615 -2.318 1.00 1.00 H new ATOM 0 HB2 SER A 74 18.224 -6.120 -1.120 1.00 1.00 H new ATOM 0 HB3 SER A 74 18.146 -5.641 -2.803 1.00 1.00 H new ATOM 0 HG SER A 74 20.335 -6.010 -1.929 1.00 1.00 H new ATOM 1076 N PRO A 75 15.715 -5.274 -0.845 1.00 1.00 N ATOM 1077 CA PRO A 75 14.604 -5.675 0.003 1.00 1.00 C ATOM 1078 C PRO A 75 15.073 -6.616 1.114 1.00 1.00 C ATOM 1079 O PRO A 75 15.452 -6.166 2.195 1.00 1.00 O ATOM 1080 CB PRO A 75 13.603 -6.321 -0.940 1.00 1.00 C ATOM 1081 CG PRO A 75 14.382 -6.678 -2.195 1.00 1.00 C ATOM 1082 CD PRO A 75 15.713 -5.945 -2.141 1.00 1.00 C ATOM 0 HA PRO A 75 14.151 -4.834 0.528 1.00 1.00 H new ATOM 0 HB2 PRO A 75 13.160 -7.209 -0.490 1.00 1.00 H new ATOM 0 HB3 PRO A 75 12.785 -5.638 -1.169 1.00 1.00 H new ATOM 0 HG2 PRO A 75 14.541 -7.755 -2.252 1.00 1.00 H new ATOM 0 HG3 PRO A 75 13.824 -6.390 -3.086 1.00 1.00 H new ATOM 0 HD2 PRO A 75 16.550 -6.637 -2.230 1.00 1.00 H new ATOM 0 HD3 PRO A 75 15.804 -5.229 -2.958 1.00 1.00 H new ATOM 1090 N GLU A 76 15.033 -7.905 0.810 1.00 1.00 N ATOM 1091 CA GLU A 76 15.450 -8.914 1.769 1.00 1.00 C ATOM 1092 C GLU A 76 16.784 -8.522 2.406 1.00 1.00 C ATOM 1093 O GLU A 76 17.028 -8.813 3.576 1.00 1.00 O ATOM 1094 CB GLU A 76 15.539 -10.292 1.111 1.00 1.00 C ATOM 1095 CG GLU A 76 16.700 -10.351 0.117 1.00 1.00 C ATOM 1096 CD GLU A 76 16.464 -11.435 -0.937 1.00 1.00 C ATOM 1097 OE1 GLU A 76 15.523 -11.251 -1.739 1.00 1.00 O ATOM 1098 OE2 GLU A 76 17.231 -12.422 -0.916 1.00 1.00 O ATOM 0 H GLU A 76 14.718 -8.274 -0.087 1.00 1.00 H new ATOM 0 HA GLU A 76 14.698 -8.972 2.556 1.00 1.00 H new ATOM 0 HB2 GLU A 76 15.672 -11.057 1.876 1.00 1.00 H new ATOM 0 HB3 GLU A 76 14.604 -10.515 0.597 1.00 1.00 H new ATOM 0 HG2 GLU A 76 16.815 -9.383 -0.371 1.00 1.00 H new ATOM 0 HG3 GLU A 76 17.630 -10.552 0.649 1.00 1.00 H new ATOM 1105 N ASP A 77 17.615 -7.869 1.607 1.00 1.00 N ATOM 1106 CA ASP A 77 18.920 -7.434 2.077 1.00 1.00 C ATOM 1107 C ASP A 77 18.738 -6.405 3.195 1.00 1.00 C ATOM 1108 O ASP A 77 19.572 -6.305 4.092 1.00 1.00 O ATOM 1109 CB ASP A 77 19.719 -6.774 0.951 1.00 1.00 C ATOM 1110 CG ASP A 77 19.943 -7.650 -0.282 1.00 1.00 C ATOM 1111 OD1 ASP A 77 19.185 -8.633 -0.425 1.00 1.00 O ATOM 1112 OD2 ASP A 77 20.867 -7.317 -1.055 1.00 1.00 O ATOM 0 H ASP A 77 17.410 -7.630 0.637 1.00 1.00 H new ATOM 0 HA ASP A 77 19.459 -8.311 2.435 1.00 1.00 H new ATOM 0 HB2 ASP A 77 19.202 -5.865 0.643 1.00 1.00 H new ATOM 0 HB3 ASP A 77 20.689 -6.471 1.344 1.00 1.00 H new ATOM 1117 N CYS A 78 17.642 -5.666 3.101 1.00 1.00 N ATOM 1118 CA CYS A 78 17.340 -4.648 4.093 1.00 1.00 C ATOM 1119 C CYS A 78 16.792 -5.342 5.342 1.00 1.00 C ATOM 1120 O CYS A 78 17.497 -5.477 6.340 1.00 1.00 O ATOM 1121 CB CYS A 78 16.367 -3.600 3.549 1.00 1.00 C ATOM 1122 SG CYS A 78 15.908 -2.289 4.740 1.00 1.00 S ATOM 0 H CYS A 78 16.953 -5.752 2.354 1.00 1.00 H new ATOM 0 HA CYS A 78 18.250 -4.105 4.350 1.00 1.00 H new ATOM 0 HB2 CYS A 78 16.812 -3.133 2.670 1.00 1.00 H new ATOM 0 HB3 CYS A 78 15.459 -4.104 3.218 1.00 1.00 H new ATOM 1127 N ALA A 79 15.539 -5.762 5.245 1.00 1.00 N ATOM 1128 CA ALA A 79 14.890 -6.440 6.354 1.00 1.00 C ATOM 1129 C ALA A 79 15.911 -7.318 7.079 1.00 1.00 C ATOM 1130 O ALA A 79 15.843 -7.479 8.297 1.00 1.00 O ATOM 1131 CB ALA A 79 13.695 -7.241 5.834 1.00 1.00 C ATOM 0 H ALA A 79 14.956 -5.646 4.416 1.00 1.00 H new ATOM 0 HA ALA A 79 14.508 -5.717 7.075 1.00 1.00 H new ATOM 0 HB1 ALA A 79 13.208 -7.750 6.666 1.00 1.00 H new ATOM 0 HB2 ALA A 79 12.985 -6.566 5.356 1.00 1.00 H new ATOM 0 HB3 ALA A 79 14.039 -7.979 5.109 1.00 1.00 H new ATOM 1137 N ALA A 80 16.833 -7.863 6.301 1.00 1.00 N ATOM 1138 CA ALA A 80 17.867 -8.721 6.853 1.00 1.00 C ATOM 1139 C ALA A 80 18.313 -8.169 8.208 1.00 1.00 C ATOM 1140 O ALA A 80 18.047 -8.772 9.247 1.00 1.00 O ATOM 1141 CB ALA A 80 19.025 -8.833 5.859 1.00 1.00 C ATOM 0 H ALA A 80 16.886 -7.727 5.291 1.00 1.00 H new ATOM 0 HA ALA A 80 17.482 -9.727 7.018 1.00 1.00 H new ATOM 0 HB1 ALA A 80 19.800 -9.477 6.274 1.00 1.00 H new ATOM 0 HB2 ALA A 80 18.662 -9.259 4.924 1.00 1.00 H new ATOM 0 HB3 ALA A 80 19.439 -7.843 5.670 1.00 1.00 H new ATOM 1147 N ARG A 81 18.984 -7.027 8.154 1.00 1.00 N ATOM 1148 CA ARG A 81 19.469 -6.385 9.363 1.00 1.00 C ATOM 1149 C ARG A 81 19.497 -4.866 9.184 1.00 1.00 C ATOM 1150 O ARG A 81 20.508 -4.223 9.460 1.00 1.00 O ATOM 1151 CB ARG A 81 20.873 -6.875 9.721 1.00 1.00 C ATOM 1152 CG ARG A 81 21.131 -8.269 9.146 1.00 1.00 C ATOM 1153 CD ARG A 81 21.755 -8.181 7.751 1.00 1.00 C ATOM 1154 NE ARG A 81 22.719 -9.288 7.558 1.00 1.00 N ATOM 1155 CZ ARG A 81 22.384 -10.585 7.562 1.00 1.00 C ATOM 1156 NH1 ARG A 81 21.108 -10.947 7.753 1.00 1.00 N ATOM 1157 NH2 ARG A 81 23.325 -11.521 7.379 1.00 1.00 N ATOM 0 H ARG A 81 19.203 -6.530 7.291 1.00 1.00 H new ATOM 0 HA ARG A 81 18.787 -6.646 10.173 1.00 1.00 H new ATOM 0 HB2 ARG A 81 21.615 -6.176 9.336 1.00 1.00 H new ATOM 0 HB3 ARG A 81 20.989 -6.898 10.805 1.00 1.00 H new ATOM 0 HG2 ARG A 81 21.794 -8.823 9.810 1.00 1.00 H new ATOM 0 HG3 ARG A 81 20.194 -8.824 9.095 1.00 1.00 H new ATOM 0 HD2 ARG A 81 20.975 -8.230 6.991 1.00 1.00 H new ATOM 0 HD3 ARG A 81 22.260 -7.223 7.629 1.00 1.00 H new ATOM 0 HE ARG A 81 23.700 -9.048 7.413 1.00 1.00 H new ATOM 0 HH11 ARG A 81 20.392 -10.235 7.895 1.00 1.00 H new ATOM 0 HH12 ARG A 81 20.853 -11.935 7.756 1.00 1.00 H new ATOM 0 HH21 ARG A 81 24.297 -11.246 7.237 1.00 1.00 H new ATOM 0 HH22 ARG A 81 23.070 -12.508 7.382 1.00 1.00 H new ATOM 1171 N ASN A 82 18.374 -4.336 8.722 1.00 1.00 N ATOM 1172 CA ASN A 82 18.257 -2.905 8.502 1.00 1.00 C ATOM 1173 C ASN A 82 16.852 -2.445 8.899 1.00 1.00 C ATOM 1174 O ASN A 82 16.339 -1.468 8.356 1.00 1.00 O ATOM 1175 CB ASN A 82 18.470 -2.554 7.028 1.00 1.00 C ATOM 1176 CG ASN A 82 19.795 -3.123 6.515 1.00 1.00 C ATOM 1177 OD1 ASN A 82 19.889 -3.656 5.422 1.00 1.00 O ATOM 1178 ND2 ASN A 82 20.809 -2.981 7.363 1.00 1.00 N ATOM 0 H ASN A 82 17.537 -4.872 8.494 1.00 1.00 H new ATOM 0 HA ASN A 82 19.018 -2.409 9.104 1.00 1.00 H new ATOM 0 HB2 ASN A 82 17.646 -2.949 6.434 1.00 1.00 H new ATOM 0 HB3 ASN A 82 18.463 -1.471 6.903 1.00 1.00 H new ATOM 0 HD21 ASN A 82 21.735 -3.329 7.114 1.00 1.00 H new ATOM 0 HD22 ASN A 82 20.661 -2.524 8.263 1.00 1.00 H new ATOM 1185 N CYS A 83 16.272 -3.172 9.843 1.00 1.00 N ATOM 1186 CA CYS A 83 14.937 -2.851 10.318 1.00 1.00 C ATOM 1187 C CYS A 83 13.933 -3.243 9.232 1.00 1.00 C ATOM 1188 O CYS A 83 14.258 -4.014 8.330 1.00 1.00 O ATOM 1189 CB CYS A 83 14.813 -1.375 10.703 1.00 1.00 C ATOM 1190 SG CYS A 83 16.209 -0.720 11.688 1.00 1.00 S ATOM 0 H CYS A 83 16.702 -3.981 10.291 1.00 1.00 H new ATOM 0 HA CYS A 83 14.727 -3.415 11.227 1.00 1.00 H new ATOM 0 HB2 CYS A 83 14.720 -0.783 9.793 1.00 1.00 H new ATOM 0 HB3 CYS A 83 13.891 -1.238 11.269 1.00 1.00 H new ATOM 1195 N CYS A 84 12.733 -2.695 9.355 1.00 1.00 N ATOM 1196 CA CYS A 84 11.679 -2.978 8.395 1.00 1.00 C ATOM 1197 C CYS A 84 12.091 -2.391 7.043 1.00 1.00 C ATOM 1198 O CYS A 84 12.982 -1.547 6.974 1.00 1.00 O ATOM 1199 CB CYS A 84 10.327 -2.436 8.864 1.00 1.00 C ATOM 1200 SG CYS A 84 9.773 -3.060 10.492 1.00 1.00 S ATOM 0 H CYS A 84 12.467 -2.057 10.105 1.00 1.00 H new ATOM 0 HA CYS A 84 11.551 -4.056 8.298 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.383 -1.348 8.907 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.572 -2.687 8.119 1.00 1.00 H new ATOM 1205 N PHE A 85 11.422 -2.863 6.001 1.00 1.00 N ATOM 1206 CA PHE A 85 11.707 -2.396 4.655 1.00 1.00 C ATOM 1207 C PHE A 85 10.429 -2.325 3.817 1.00 1.00 C ATOM 1208 O PHE A 85 10.014 -3.319 3.225 1.00 1.00 O ATOM 1209 CB PHE A 85 12.661 -3.411 4.022 1.00 1.00 C ATOM 1210 CG PHE A 85 12.863 -3.222 2.518 1.00 1.00 C ATOM 1211 CD1 PHE A 85 13.832 -2.383 2.062 1.00 1.00 C ATOM 1212 CD2 PHE A 85 12.072 -3.891 1.636 1.00 1.00 C ATOM 1213 CE1 PHE A 85 14.019 -2.208 0.664 1.00 1.00 C ATOM 1214 CE2 PHE A 85 12.260 -3.715 0.239 1.00 1.00 C ATOM 1215 CZ PHE A 85 13.229 -2.877 -0.217 1.00 1.00 C ATOM 0 H PHE A 85 10.684 -3.564 6.062 1.00 1.00 H new ATOM 0 HA PHE A 85 12.141 -1.397 4.692 1.00 1.00 H new ATOM 0 HB2 PHE A 85 13.629 -3.344 4.519 1.00 1.00 H new ATOM 0 HB3 PHE A 85 12.279 -4.416 4.203 1.00 1.00 H new ATOM 0 HD1 PHE A 85 14.459 -1.850 2.762 1.00 1.00 H new ATOM 0 HD2 PHE A 85 11.301 -4.556 1.998 1.00 1.00 H new ATOM 0 HE1 PHE A 85 14.789 -1.543 0.301 1.00 1.00 H new ATOM 0 HE2 PHE A 85 11.633 -4.247 -0.461 1.00 1.00 H new ATOM 0 HZ PHE A 85 13.371 -2.743 -1.279 1.00 1.00 H new ATOM 1225 N SER A 86 9.840 -1.138 3.794 1.00 1.00 N ATOM 1226 CA SER A 86 8.618 -0.924 3.038 1.00 1.00 C ATOM 1227 C SER A 86 8.800 0.247 2.068 1.00 1.00 C ATOM 1228 O SER A 86 8.722 1.407 2.469 1.00 1.00 O ATOM 1229 CB SER A 86 7.433 -0.660 3.971 1.00 1.00 C ATOM 1230 OG SER A 86 6.198 -0.604 3.262 1.00 1.00 O ATOM 0 H SER A 86 10.187 -0.315 4.287 1.00 1.00 H new ATOM 0 HA SER A 86 8.405 -1.829 2.469 1.00 1.00 H new ATOM 0 HB2 SER A 86 7.383 -1.446 4.725 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.590 0.280 4.500 1.00 1.00 H new ATOM 0 HG SER A 86 5.466 -0.436 3.892 1.00 1.00 H new ATOM 1236 N ASP A 87 9.039 -0.100 0.812 1.00 1.00 N ATOM 1237 CA ASP A 87 9.232 0.908 -0.217 1.00 1.00 C ATOM 1238 C ASP A 87 7.869 1.412 -0.693 1.00 1.00 C ATOM 1239 O ASP A 87 7.795 2.322 -1.519 1.00 1.00 O ATOM 1240 CB ASP A 87 9.970 0.326 -1.425 1.00 1.00 C ATOM 1241 CG ASP A 87 9.087 -0.435 -2.416 1.00 1.00 C ATOM 1242 OD1 ASP A 87 8.488 0.244 -3.278 1.00 1.00 O ATOM 1243 OD2 ASP A 87 9.030 -1.677 -2.290 1.00 1.00 O ATOM 0 H ASP A 87 9.103 -1.064 0.484 1.00 1.00 H new ATOM 0 HA ASP A 87 9.822 1.719 0.210 1.00 1.00 H new ATOM 0 HB2 ASP A 87 10.467 1.139 -1.954 1.00 1.00 H new ATOM 0 HB3 ASP A 87 10.750 -0.345 -1.066 1.00 1.00 H new ATOM 1248 N THR A 88 6.826 0.801 -0.152 1.00 1.00 N ATOM 1249 CA THR A 88 5.469 1.178 -0.512 1.00 1.00 C ATOM 1250 C THR A 88 5.410 2.658 -0.897 1.00 1.00 C ATOM 1251 O THR A 88 4.745 3.025 -1.864 1.00 1.00 O ATOM 1252 CB THR A 88 4.553 0.817 0.658 1.00 1.00 C ATOM 1253 OG1 THR A 88 3.250 1.173 0.202 1.00 1.00 O ATOM 1254 CG2 THR A 88 4.778 1.716 1.877 1.00 1.00 C ATOM 0 H THR A 88 6.892 0.048 0.533 1.00 1.00 H new ATOM 0 HA THR A 88 5.127 0.633 -1.392 1.00 1.00 H new ATOM 0 HB THR A 88 4.716 -0.224 0.938 1.00 1.00 H new ATOM 0 HG1 THR A 88 2.592 0.970 0.900 1.00 1.00 H new ATOM 0 HG21 THR A 88 4.103 1.417 2.679 1.00 1.00 H new ATOM 0 HG22 THR A 88 5.809 1.618 2.216 1.00 1.00 H new ATOM 0 HG23 THR A 88 4.582 2.753 1.605 1.00 1.00 H new ATOM 1262 N ILE A 89 6.116 3.467 -0.120 1.00 1.00 N ATOM 1263 CA ILE A 89 6.153 4.897 -0.367 1.00 1.00 C ATOM 1264 C ILE A 89 7.539 5.287 -0.885 1.00 1.00 C ATOM 1265 O ILE A 89 8.503 5.322 -0.121 1.00 1.00 O ATOM 1266 CB ILE A 89 5.725 5.669 0.883 1.00 1.00 C ATOM 1267 CG1 ILE A 89 4.200 5.736 0.991 1.00 1.00 C ATOM 1268 CG2 ILE A 89 6.364 7.059 0.916 1.00 1.00 C ATOM 1269 CD1 ILE A 89 3.709 5.049 2.267 1.00 1.00 C ATOM 0 H ILE A 89 6.667 3.158 0.681 1.00 1.00 H new ATOM 0 HA ILE A 89 5.435 5.167 -1.142 1.00 1.00 H new ATOM 0 HB ILE A 89 6.086 5.129 1.758 1.00 1.00 H new ATOM 0 HG12 ILE A 89 3.877 6.777 0.987 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.749 5.259 0.121 1.00 1.00 H new ATOM 0 HG21 ILE A 89 6.043 7.586 1.815 1.00 1.00 H new ATOM 0 HG22 ILE A 89 7.450 6.960 0.922 1.00 1.00 H new ATOM 0 HG23 ILE A 89 6.055 7.622 0.035 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.622 5.111 2.319 1.00 1.00 H new ATOM 0 HD12 ILE A 89 4.012 4.002 2.256 1.00 1.00 H new ATOM 0 HD13 ILE A 89 4.142 5.544 3.136 1.00 1.00 H new ATOM 1281 N PRO A 90 7.596 5.575 -2.213 1.00 1.00 N ATOM 1282 CA PRO A 90 8.849 5.959 -2.841 1.00 1.00 C ATOM 1283 C PRO A 90 9.226 7.397 -2.476 1.00 1.00 C ATOM 1284 O PRO A 90 8.367 8.275 -2.429 1.00 1.00 O ATOM 1285 CB PRO A 90 8.617 5.765 -4.331 1.00 1.00 C ATOM 1286 CG PRO A 90 7.110 5.727 -4.517 1.00 1.00 C ATOM 1287 CD PRO A 90 6.476 5.543 -3.147 1.00 1.00 C ATOM 0 HA PRO A 90 9.693 5.358 -2.501 1.00 1.00 H new ATOM 0 HB2 PRO A 90 9.061 6.579 -4.904 1.00 1.00 H new ATOM 0 HB3 PRO A 90 9.077 4.841 -4.681 1.00 1.00 H new ATOM 0 HG2 PRO A 90 6.759 6.650 -4.979 1.00 1.00 H new ATOM 0 HG3 PRO A 90 6.828 4.910 -5.181 1.00 1.00 H new ATOM 0 HD2 PRO A 90 5.759 6.336 -2.933 1.00 1.00 H new ATOM 0 HD3 PRO A 90 5.935 4.599 -3.085 1.00 1.00 H new ATOM 1295 N GLU A 91 10.514 7.591 -2.229 1.00 1.00 N ATOM 1296 CA GLU A 91 11.015 8.907 -1.869 1.00 1.00 C ATOM 1297 C GLU A 91 11.053 9.064 -0.349 1.00 1.00 C ATOM 1298 O GLU A 91 10.895 10.169 0.169 1.00 1.00 O ATOM 1299 CB GLU A 91 10.173 10.010 -2.514 1.00 1.00 C ATOM 1300 CG GLU A 91 9.083 10.497 -1.556 1.00 1.00 C ATOM 1301 CD GLU A 91 7.825 10.912 -2.324 1.00 1.00 C ATOM 1302 OE1 GLU A 91 7.855 10.795 -3.568 1.00 1.00 O ATOM 1303 OE2 GLU A 91 6.863 11.338 -1.648 1.00 1.00 O ATOM 0 H GLU A 91 11.224 6.860 -2.271 1.00 1.00 H new ATOM 0 HA GLU A 91 12.032 9.003 -2.249 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.815 10.845 -2.796 1.00 1.00 H new ATOM 0 HB3 GLU A 91 9.717 9.636 -3.430 1.00 1.00 H new ATOM 0 HG2 GLU A 91 8.837 9.706 -0.847 1.00 1.00 H new ATOM 0 HG3 GLU A 91 9.454 11.341 -0.975 1.00 1.00 H new ATOM 1310 N VAL A 92 11.263 7.943 0.325 1.00 1.00 N ATOM 1311 CA VAL A 92 11.324 7.942 1.777 1.00 1.00 C ATOM 1312 C VAL A 92 12.206 6.783 2.246 1.00 1.00 C ATOM 1313 O VAL A 92 12.658 5.976 1.436 1.00 1.00 O ATOM 1314 CB VAL A 92 9.909 7.891 2.360 1.00 1.00 C ATOM 1315 CG1 VAL A 92 8.926 8.662 1.477 1.00 1.00 C ATOM 1316 CG2 VAL A 92 9.451 6.445 2.560 1.00 1.00 C ATOM 0 H VAL A 92 11.393 7.029 -0.108 1.00 1.00 H new ATOM 0 HA VAL A 92 11.778 8.864 2.141 1.00 1.00 H new ATOM 0 HB VAL A 92 9.930 8.373 3.337 1.00 1.00 H new ATOM 0 HG11 VAL A 92 7.928 8.611 1.913 1.00 1.00 H new ATOM 0 HG12 VAL A 92 9.239 9.704 1.408 1.00 1.00 H new ATOM 0 HG13 VAL A 92 8.910 8.222 0.480 1.00 1.00 H new ATOM 0 HG21 VAL A 92 8.443 6.437 2.975 1.00 1.00 H new ATOM 0 HG22 VAL A 92 9.453 5.927 1.601 1.00 1.00 H new ATOM 0 HG23 VAL A 92 10.130 5.940 3.247 1.00 1.00 H new ATOM 1326 N PRO A 93 12.430 6.737 3.586 1.00 1.00 N ATOM 1327 CA PRO A 93 13.251 5.691 4.173 1.00 1.00 C ATOM 1328 C PRO A 93 12.493 4.363 4.220 1.00 1.00 C ATOM 1329 O PRO A 93 11.731 4.110 5.152 1.00 1.00 O ATOM 1330 CB PRO A 93 13.624 6.211 5.552 1.00 1.00 C ATOM 1331 CG PRO A 93 12.626 7.312 5.867 1.00 1.00 C ATOM 1332 CD PRO A 93 11.911 7.678 4.576 1.00 1.00 C ATOM 0 HA PRO A 93 14.145 5.479 3.587 1.00 1.00 H new ATOM 0 HB2 PRO A 93 13.575 5.415 6.296 1.00 1.00 H new ATOM 0 HB3 PRO A 93 14.644 6.594 5.562 1.00 1.00 H new ATOM 0 HG2 PRO A 93 11.910 6.975 6.617 1.00 1.00 H new ATOM 0 HG3 PRO A 93 13.136 8.182 6.281 1.00 1.00 H new ATOM 0 HD2 PRO A 93 10.830 7.586 4.682 1.00 1.00 H new ATOM 0 HD3 PRO A 93 12.116 8.709 4.288 1.00 1.00 H new ATOM 1340 N TRP A 94 12.729 3.548 3.201 1.00 1.00 N ATOM 1341 CA TRP A 94 12.079 2.251 3.115 1.00 1.00 C ATOM 1342 C TRP A 94 12.512 1.423 4.326 1.00 1.00 C ATOM 1343 O TRP A 94 11.712 0.678 4.891 1.00 1.00 O ATOM 1344 CB TRP A 94 12.391 1.569 1.781 1.00 1.00 C ATOM 1345 CG TRP A 94 12.020 2.405 0.554 1.00 1.00 C ATOM 1346 CD1 TRP A 94 11.359 3.569 0.517 1.00 1.00 C ATOM 1347 CD2 TRP A 94 12.320 2.089 -0.822 1.00 1.00 C ATOM 1348 NE1 TRP A 94 11.210 4.026 -0.777 1.00 1.00 N ATOM 1349 CE2 TRP A 94 11.814 3.098 -1.617 1.00 1.00 C ATOM 1350 CE3 TRP A 94 12.997 0.989 -1.378 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 11.930 3.105 -3.012 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 13.104 1.011 -2.773 1.00 1.00 C ATOM 1353 CH2 TRP A 94 12.601 2.019 -3.588 1.00 1.00 C ATOM 0 H TRP A 94 13.361 3.761 2.429 1.00 1.00 H new ATOM 0 HA TRP A 94 10.995 2.361 3.139 1.00 1.00 H new ATOM 0 HB2 TRP A 94 13.456 1.338 1.743 1.00 1.00 H new ATOM 0 HB3 TRP A 94 11.857 0.620 1.736 1.00 1.00 H new ATOM 0 HD1 TRP A 94 10.989 4.086 1.390 1.00 1.00 H new ATOM 0 HE1 TRP A 94 10.743 4.886 -1.064 1.00 1.00 H new ATOM 0 HE3 TRP A 94 13.403 0.190 -0.775 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 11.524 3.906 -3.612 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 13.613 0.187 -3.250 1.00 1.00 H new ATOM 0 HH2 TRP A 94 12.727 1.965 -4.659 1.00 1.00 H new ATOM 1364 N CYS A 95 13.776 1.580 4.688 1.00 1.00 N ATOM 1365 CA CYS A 95 14.326 0.856 5.822 1.00 1.00 C ATOM 1366 C CYS A 95 14.104 1.695 7.081 1.00 1.00 C ATOM 1367 O CYS A 95 14.913 2.563 7.403 1.00 1.00 O ATOM 1368 CB CYS A 95 15.804 0.517 5.614 1.00 1.00 C ATOM 1369 SG CYS A 95 16.162 -0.471 4.117 1.00 1.00 S ATOM 0 H CYS A 95 14.436 2.198 4.216 1.00 1.00 H new ATOM 0 HA CYS A 95 13.814 -0.100 5.929 1.00 1.00 H new ATOM 0 HB2 CYS A 95 16.372 1.446 5.563 1.00 1.00 H new ATOM 0 HB3 CYS A 95 16.163 -0.029 6.487 1.00 1.00 H new ATOM 1374 N PHE A 96 13.003 1.406 7.760 1.00 1.00 N ATOM 1375 CA PHE A 96 12.664 2.123 8.977 1.00 1.00 C ATOM 1376 C PHE A 96 12.666 1.184 10.185 1.00 1.00 C ATOM 1377 O PHE A 96 12.737 -0.034 10.029 1.00 1.00 O ATOM 1378 CB PHE A 96 11.255 2.687 8.787 1.00 1.00 C ATOM 1379 CG PHE A 96 10.220 1.644 8.361 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.009 1.394 7.041 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.510 0.967 9.304 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.048 0.425 6.646 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.549 -0.002 8.909 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.338 -0.252 7.589 1.00 1.00 C ATOM 0 H PHE A 96 12.334 0.685 7.490 1.00 1.00 H new ATOM 0 HA PHE A 96 13.395 2.910 9.161 1.00 1.00 H new ATOM 0 HB2 PHE A 96 10.930 3.147 9.720 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.289 3.477 8.037 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.572 1.932 6.293 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.677 1.166 10.352 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.881 0.226 5.598 1.00 1.00 H new ATOM 0 HE2 PHE A 96 7.986 -0.540 9.657 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.607 -0.988 7.289 1.00 1.00 H new ATOM 1394 N PHE A 97 12.588 1.787 11.362 1.00 1.00 N ATOM 1395 CA PHE A 97 12.580 1.019 12.596 1.00 1.00 C ATOM 1396 C PHE A 97 11.162 0.575 12.957 1.00 1.00 C ATOM 1397 O PHE A 97 10.189 1.226 12.577 1.00 1.00 O ATOM 1398 CB PHE A 97 13.110 1.939 13.699 1.00 1.00 C ATOM 1399 CG PHE A 97 14.499 2.515 13.415 1.00 1.00 C ATOM 1400 CD1 PHE A 97 15.594 1.713 13.487 1.00 1.00 C ATOM 1401 CD2 PHE A 97 14.637 3.829 13.093 1.00 1.00 C ATOM 1402 CE1 PHE A 97 16.884 2.247 13.225 1.00 1.00 C ATOM 1403 CE2 PHE A 97 15.927 4.363 12.829 1.00 1.00 C ATOM 1404 CZ PHE A 97 17.023 3.561 12.901 1.00 1.00 C ATOM 0 H PHE A 97 12.530 2.798 11.488 1.00 1.00 H new ATOM 0 HA PHE A 97 13.193 0.125 12.481 1.00 1.00 H new ATOM 0 HB2 PHE A 97 12.409 2.761 13.840 1.00 1.00 H new ATOM 0 HB3 PHE A 97 13.143 1.384 14.636 1.00 1.00 H new ATOM 0 HD1 PHE A 97 15.483 0.670 13.743 1.00 1.00 H new ATOM 0 HD2 PHE A 97 13.767 4.466 13.038 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.754 1.610 13.283 1.00 1.00 H new ATOM 0 HE2 PHE A 97 16.037 5.406 12.571 1.00 1.00 H new ATOM 0 HZ PHE A 97 18.004 3.967 12.701 1.00 1.00 H new ATOM 1414 N PRO A 98 11.086 -0.558 13.705 1.00 1.00 N ATOM 1415 CA PRO A 98 9.802 -1.095 14.121 1.00 1.00 C ATOM 1416 C PRO A 98 9.201 -0.265 15.256 1.00 1.00 C ATOM 1417 O PRO A 98 9.726 -0.256 16.369 1.00 1.00 O ATOM 1418 CB PRO A 98 10.091 -2.532 14.525 1.00 1.00 C ATOM 1419 CG PRO A 98 11.591 -2.606 14.763 1.00 1.00 C ATOM 1420 CD PRO A 98 12.218 -1.352 14.174 1.00 1.00 C ATOM 0 HA PRO A 98 9.054 -1.059 13.329 1.00 1.00 H new ATOM 0 HB2 PRO A 98 9.539 -2.803 15.425 1.00 1.00 H new ATOM 0 HB3 PRO A 98 9.785 -3.226 13.743 1.00 1.00 H new ATOM 0 HG2 PRO A 98 11.806 -2.675 15.829 1.00 1.00 H new ATOM 0 HG3 PRO A 98 12.008 -3.498 14.295 1.00 1.00 H new ATOM 0 HD2 PRO A 98 12.799 -0.811 14.921 1.00 1.00 H new ATOM 0 HD3 PRO A 98 12.897 -1.595 13.357 1.00 1.00 H new ATOM 1428 N MET A 99 8.109 0.413 14.936 1.00 1.00 N ATOM 1429 CA MET A 99 7.430 1.245 15.915 1.00 1.00 C ATOM 1430 C MET A 99 6.464 0.416 16.764 1.00 1.00 C ATOM 1431 O MET A 99 5.282 0.312 16.442 1.00 1.00 O ATOM 1432 CB MET A 99 6.657 2.352 15.197 1.00 1.00 C ATOM 1433 CG MET A 99 6.779 3.682 15.945 1.00 1.00 C ATOM 1434 SD MET A 99 5.205 4.126 16.659 1.00 1.00 S ATOM 1435 CE MET A 99 5.664 4.228 18.382 1.00 1.00 C ATOM 0 H MET A 99 7.677 0.403 14.012 1.00 1.00 H new ATOM 0 HA MET A 99 8.180 1.682 16.574 1.00 1.00 H new ATOM 0 HB2 MET A 99 7.037 2.466 14.182 1.00 1.00 H new ATOM 0 HB3 MET A 99 5.607 2.072 15.115 1.00 1.00 H new ATOM 0 HG2 MET A 99 7.533 3.601 16.728 1.00 1.00 H new ATOM 0 HG3 MET A 99 7.112 4.464 15.262 1.00 1.00 H new ATOM 0 HE1 MET A 99 4.791 4.498 18.976 1.00 1.00 H new ATOM 0 HE2 MET A 99 6.045 3.262 18.715 1.00 1.00 H new ATOM 0 HE3 MET A 99 6.437 4.986 18.508 1.00 1.00 H new ATOM 1445 N SER A 100 7.004 -0.152 17.832 1.00 1.00 N ATOM 1446 CA SER A 100 6.205 -0.969 18.730 1.00 1.00 C ATOM 1447 C SER A 100 4.835 -0.322 18.946 1.00 1.00 C ATOM 1448 O SER A 100 4.678 0.884 18.761 1.00 1.00 O ATOM 1449 CB SER A 100 6.913 -1.169 20.071 1.00 1.00 C ATOM 1450 OG SER A 100 6.661 -0.097 20.974 1.00 1.00 O ATOM 0 H SER A 100 7.985 -0.063 18.096 1.00 1.00 H new ATOM 0 HA SER A 100 6.070 -1.949 18.271 1.00 1.00 H new ATOM 0 HB2 SER A 100 6.582 -2.106 20.519 1.00 1.00 H new ATOM 0 HB3 SER A 100 7.987 -1.257 19.904 1.00 1.00 H new ATOM 0 HG SER A 100 7.129 -0.264 21.819 1.00 1.00 H new ATOM 1456 N VAL A 101 3.878 -1.153 19.333 1.00 1.00 N ATOM 1457 CA VAL A 101 2.527 -0.677 19.576 1.00 1.00 C ATOM 1458 C VAL A 101 2.568 0.467 20.591 1.00 1.00 C ATOM 1459 O VAL A 101 3.003 1.572 20.270 1.00 1.00 O ATOM 1460 CB VAL A 101 1.635 -1.838 20.020 1.00 1.00 C ATOM 1461 CG1 VAL A 101 1.130 -2.633 18.814 1.00 1.00 C ATOM 1462 CG2 VAL A 101 2.370 -2.748 21.007 1.00 1.00 C ATOM 0 H VAL A 101 4.012 -2.153 19.484 1.00 1.00 H new ATOM 0 HA VAL A 101 2.091 -0.282 18.658 1.00 1.00 H new ATOM 0 HB VAL A 101 0.769 -1.418 20.532 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.498 -3.452 19.157 1.00 1.00 H new ATOM 0 HG12 VAL A 101 0.552 -1.978 18.162 1.00 1.00 H new ATOM 0 HG13 VAL A 101 1.979 -3.036 18.262 1.00 1.00 H new ATOM 0 HG21 VAL A 101 1.714 -3.565 21.307 1.00 1.00 H new ATOM 0 HG22 VAL A 101 3.262 -3.155 20.531 1.00 1.00 H new ATOM 0 HG23 VAL A 101 2.658 -2.173 21.887 1.00 1.00 H new ATOM 1472 N GLU A 102 2.110 0.162 21.797 1.00 1.00 N ATOM 1473 CA GLU A 102 2.090 1.152 22.861 1.00 1.00 C ATOM 1474 C GLU A 102 1.034 2.220 22.572 1.00 1.00 C ATOM 1475 O GLU A 102 -0.015 2.252 23.214 1.00 1.00 O ATOM 1476 CB GLU A 102 3.470 1.782 23.051 1.00 1.00 C ATOM 1477 CG GLU A 102 3.660 2.265 24.491 1.00 1.00 C ATOM 1478 CD GLU A 102 4.175 3.705 24.523 1.00 1.00 C ATOM 1479 OE1 GLU A 102 5.414 3.866 24.480 1.00 1.00 O ATOM 1480 OE2 GLU A 102 3.318 4.612 24.590 1.00 1.00 O ATOM 0 H GLU A 102 1.750 -0.755 22.060 1.00 1.00 H new ATOM 0 HA GLU A 102 1.826 0.650 23.792 1.00 1.00 H new ATOM 0 HB2 GLU A 102 4.243 1.055 22.803 1.00 1.00 H new ATOM 0 HB3 GLU A 102 3.589 2.620 22.364 1.00 1.00 H new ATOM 0 HG2 GLU A 102 2.713 2.202 25.027 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.363 1.612 25.008 1.00 1.00 H new ATOM 1487 N ASP A 103 1.347 3.070 21.605 1.00 1.00 N ATOM 1488 CA ASP A 103 0.438 4.137 21.223 1.00 1.00 C ATOM 1489 C ASP A 103 -0.753 3.542 20.469 1.00 1.00 C ATOM 1490 O ASP A 103 -1.770 4.208 20.286 1.00 1.00 O ATOM 1491 CB ASP A 103 1.127 5.143 20.298 1.00 1.00 C ATOM 1492 CG ASP A 103 0.514 6.544 20.295 1.00 1.00 C ATOM 1493 OD1 ASP A 103 -0.146 6.878 21.303 1.00 1.00 O ATOM 1494 OD2 ASP A 103 0.716 7.251 19.284 1.00 1.00 O ATOM 0 H ASP A 103 2.218 3.041 21.075 1.00 1.00 H new ATOM 0 HA ASP A 103 0.114 4.645 22.132 1.00 1.00 H new ATOM 0 HB2 ASP A 103 2.175 5.222 20.588 1.00 1.00 H new ATOM 0 HB3 ASP A 103 1.106 4.752 19.281 1.00 1.00 H new ATOM 1499 N CYS A 104 -0.587 2.295 20.054 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.635 1.602 19.326 1.00 1.00 C ATOM 1501 C CYS A 104 -2.371 0.682 20.301 1.00 1.00 C ATOM 1502 O CYS A 104 -1.743 -0.005 21.106 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.078 0.834 18.125 1.00 1.00 C ATOM 1504 SG CYS A 104 0.467 1.520 17.426 1.00 1.00 S ATOM 0 H CYS A 104 0.259 1.746 20.208 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.336 2.328 18.915 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -0.898 -0.199 18.424 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.836 0.812 17.342 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.692 0.697 20.197 1.00 1.00 N ATOM 1510 CA HIS A 105 -4.520 -0.128 21.060 1.00 1.00 C ATOM 1511 C HIS A 105 -5.915 -0.272 20.449 1.00 1.00 C ATOM 1512 O HIS A 105 -6.190 0.282 19.386 1.00 1.00 O ATOM 1513 CB HIS A 105 -4.552 0.435 22.483 1.00 1.00 C ATOM 1514 CG HIS A 105 -4.560 1.944 22.546 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -5.646 2.704 22.148 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -3.606 2.823 22.964 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -5.347 3.983 22.323 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -4.083 4.055 22.829 1.00 1.00 N ATOM 0 H HIS A 105 -4.209 1.268 19.528 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.089 -1.126 21.136 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.437 0.055 22.993 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -3.685 0.063 23.030 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -2.628 2.562 23.341 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -5.991 4.821 22.103 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -3.586 4.914 23.065 1.00 1.00 H new ATOM 1526 N TYR A 106 -6.757 -1.020 21.145 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.117 -1.244 20.684 1.00 1.00 C ATOM 1528 C TYR A 106 -9.128 -0.943 21.792 1.00 1.00 C ATOM 1529 O TYR A 106 -8.828 -1.106 22.973 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.201 -2.729 20.324 1.00 1.00 C ATOM 1531 CG TYR A 106 -7.787 -3.045 18.887 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -8.011 -2.123 17.885 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -7.189 -4.254 18.590 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -7.622 -2.421 16.531 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.800 -4.551 17.236 1.00 1.00 C ATOM 1536 CZ TYR A 106 -7.035 -3.620 16.273 1.00 1.00 C ATOM 1537 OH TYR A 106 -6.668 -3.901 14.995 1.00 1.00 O ATOM 0 H TYR A 106 -6.524 -1.479 22.025 1.00 1.00 H new ATOM 0 HA TYR A 106 -8.348 -0.595 19.839 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -7.566 -3.294 21.007 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.223 -3.073 20.481 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -8.478 -1.177 18.116 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -7.013 -4.976 19.373 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -7.793 -1.708 15.738 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -6.332 -5.493 16.990 1.00 1.00 H new ATOM 0 HH TYR A 106 -6.825 -3.116 14.429 1.00 1.00 H new TER 1547 TYR A 106