USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot -86:sc= 1.18 USER MOD Set 1.2: A 56 HIS :FLIP no HD1:sc= -1.54! F(o=-3.7,f=-0.36!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= -0.548 (180deg=-3.53!) USER MOD Single : A 22 MET CE :methyl 155:sc= -5.34! (180deg=-6.93!) USER MOD Single : A 24 SER OG : rot -61:sc= 0.584 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.16 K(o=-3.2,f=-4.8!) USER MOD Single : A 28 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-5.3!) USER MOD Single : A 37 SER OG : rot 164:sc= 2.05 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 81:sc= -1.05 USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= -1.86! (180deg=-5.34!) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.68 F(o=-5.9!,f=-1.7) USER MOD Single : A 55 GLN :FLIP amide:sc= -3.73! C(o=-6.1!,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= -13.6! (180deg=-14.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.13 K(o=-2.1,f=-11!) USER MOD Single : A 76 SER OG : rot -28:sc= 0.054 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 83 TYR OH : rot 165:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -9.13! C(o=-9.1!,f=-11!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -57:sc= 0.398 USER MOD Single : A 88 SER OG : rot 23:sc= -0.597 USER MOD Single : A 90 SER OG : rot 3:sc= -5.23! USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 9.572 4.535 7.300 1.00 0.00 N ATOM 115 CA PRO A 8 8.251 3.918 7.328 1.00 0.00 C ATOM 116 C PRO A 8 7.819 3.281 5.989 1.00 0.00 C ATOM 117 O PRO A 8 8.467 2.382 5.469 1.00 0.00 O ATOM 118 CB PRO A 8 7.332 5.063 7.783 1.00 0.00 C ATOM 119 CG PRO A 8 8.236 5.999 8.582 1.00 0.00 C ATOM 120 CD PRO A 8 9.618 5.843 7.946 1.00 0.00 C ATOM 0 HA PRO A 8 8.219 3.059 7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.888 5.576 6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.510 4.691 8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.888 7.030 8.524 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.253 5.727 9.637 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.816 6.636 7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.408 5.889 8.695 1.00 0.00 H new ATOM 128 N TRP A 9 6.683 3.792 5.478 1.00 0.00 N ATOM 129 CA TRP A 9 6.139 3.267 4.228 1.00 0.00 C ATOM 130 C TRP A 9 5.174 4.261 3.538 1.00 0.00 C ATOM 131 O TRP A 9 4.404 3.884 2.660 1.00 0.00 O ATOM 132 CB TRP A 9 5.459 1.898 4.427 1.00 0.00 C ATOM 133 CG TRP A 9 4.576 1.843 5.660 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.829 1.059 6.790 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.349 2.558 5.918 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.855 1.239 7.717 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.913 2.144 7.249 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.584 3.492 5.179 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.725 2.672 7.808 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.371 4.033 5.744 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.942 3.622 7.058 1.00 0.00 C ATOM 0 H TRP A 9 6.143 4.546 5.902 1.00 0.00 H new ATOM 0 HA TRP A 9 6.992 3.127 3.564 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.858 1.667 3.547 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.225 1.126 4.502 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.679 0.403 6.908 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.820 0.777 8.625 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.907 3.799 4.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.406 2.364 8.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.785 4.746 5.183 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.034 4.026 7.480 1.00 0.00 H new ATOM 152 N PHE A 10 5.271 5.539 3.963 1.00 0.00 N ATOM 153 CA PHE A 10 4.448 6.561 3.351 1.00 0.00 C ATOM 154 C PHE A 10 5.141 7.098 2.097 1.00 0.00 C ATOM 155 O PHE A 10 6.138 7.807 2.160 1.00 0.00 O ATOM 156 CB PHE A 10 4.230 7.701 4.346 1.00 0.00 C ATOM 157 CG PHE A 10 3.469 7.242 5.555 1.00 0.00 C ATOM 158 CD1 PHE A 10 4.167 6.690 6.687 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.033 7.355 5.593 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.438 6.255 7.849 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.301 6.920 6.754 1.00 0.00 C ATOM 162 CZ PHE A 10 2.004 6.371 7.881 1.00 0.00 C ATOM 0 H PHE A 10 5.893 5.864 4.703 1.00 0.00 H new ATOM 0 HA PHE A 10 3.485 6.133 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.194 8.105 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.686 8.511 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.243 6.602 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.504 7.768 4.747 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.966 5.842 8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.225 7.006 6.778 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.456 6.045 8.753 1.00 0.00 H new ATOM 172 N PHE A 11 4.531 6.719 0.960 1.00 0.00 N ATOM 173 CA PHE A 11 5.049 7.208 -0.303 1.00 0.00 C ATOM 174 C PHE A 11 4.222 8.420 -0.741 1.00 0.00 C ATOM 175 O PHE A 11 3.159 8.301 -1.338 1.00 0.00 O ATOM 176 CB PHE A 11 4.980 6.086 -1.342 1.00 0.00 C ATOM 177 CG PHE A 11 5.809 4.911 -0.914 1.00 0.00 C ATOM 178 CD1 PHE A 11 5.312 4.001 0.085 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.108 4.686 -1.494 1.00 0.00 C ATOM 180 CE1 PHE A 11 6.105 2.876 0.503 1.00 0.00 C ATOM 181 CE2 PHE A 11 7.904 3.562 -1.080 1.00 0.00 C ATOM 182 CZ PHE A 11 7.403 2.657 -0.081 1.00 0.00 C ATOM 0 H PHE A 11 3.719 6.105 0.900 1.00 0.00 H new ATOM 0 HA PHE A 11 6.090 7.516 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.944 5.775 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.333 6.454 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.338 4.164 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.486 5.365 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.728 2.197 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.877 3.398 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.000 1.813 0.231 1.00 0.00 H new ATOM 192 N GLY A 12 4.784 9.590 -0.387 1.00 0.00 N ATOM 193 CA GLY A 12 4.034 10.811 -0.617 1.00 0.00 C ATOM 194 C GLY A 12 3.497 10.870 -2.045 1.00 0.00 C ATOM 195 O GLY A 12 4.212 11.121 -3.006 1.00 0.00 O ATOM 0 H GLY A 12 5.705 9.704 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.205 10.870 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.673 11.674 -0.430 1.00 0.00 H new ATOM 199 N LYS A 13 2.173 10.635 -2.083 1.00 0.00 N ATOM 200 CA LYS A 13 1.436 10.686 -3.334 1.00 0.00 C ATOM 201 C LYS A 13 2.321 10.277 -4.515 1.00 0.00 C ATOM 202 O LYS A 13 2.292 10.881 -5.581 1.00 0.00 O ATOM 203 CB LYS A 13 0.883 12.096 -3.549 1.00 0.00 C ATOM 204 CG LYS A 13 1.994 13.139 -3.652 1.00 0.00 C ATOM 205 CD LYS A 13 1.430 14.547 -3.852 1.00 0.00 C ATOM 206 CE LYS A 13 2.538 15.595 -3.949 1.00 0.00 C ATOM 207 NZ LYS A 13 2.012 16.943 -4.131 1.00 0.00 N ATOM 0 H LYS A 13 1.607 10.411 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 13 0.609 9.978 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.283 12.115 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.219 12.354 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.601 13.115 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.652 12.889 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.827 14.571 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.768 14.794 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.145 15.564 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.196 15.349 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.801 17.618 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.454 16.983 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.405 17.191 -3.324 1.00 0.00 H new ATOM 221 N ILE A 14 3.105 9.217 -4.252 1.00 0.00 N ATOM 222 CA ILE A 14 3.968 8.744 -5.316 1.00 0.00 C ATOM 223 C ILE A 14 3.105 8.416 -6.541 1.00 0.00 C ATOM 224 O ILE A 14 2.060 7.787 -6.431 1.00 0.00 O ATOM 225 CB ILE A 14 4.714 7.497 -4.842 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.856 7.150 -5.796 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.752 6.319 -4.691 1.00 0.00 C ATOM 228 CD1 ILE A 14 7.008 8.149 -5.679 1.00 0.00 C ATOM 0 H ILE A 14 3.152 8.708 -3.369 1.00 0.00 H new ATOM 0 HA ILE A 14 4.697 9.509 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 14 5.147 7.710 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.220 6.146 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.485 7.140 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.302 5.441 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.983 6.569 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.284 6.106 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.802 7.871 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.648 9.149 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.395 8.140 -4.660 1.00 0.00 H new ATOM 240 N PRO A 15 3.587 8.874 -7.720 1.00 0.00 N ATOM 241 CA PRO A 15 2.897 8.631 -8.976 1.00 0.00 C ATOM 242 C PRO A 15 2.412 7.189 -9.119 1.00 0.00 C ATOM 243 O PRO A 15 3.182 6.239 -9.068 1.00 0.00 O ATOM 244 CB PRO A 15 3.939 8.966 -10.042 1.00 0.00 C ATOM 245 CG PRO A 15 4.893 9.953 -9.362 1.00 0.00 C ATOM 246 CD PRO A 15 4.837 9.608 -7.871 1.00 0.00 C ATOM 0 HA PRO A 15 1.991 9.232 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.466 8.072 -10.374 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.475 9.408 -10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.906 9.852 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.585 10.983 -9.539 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.693 9.004 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.848 10.506 -7.254 1.00 0.00 H new ATOM 254 N ARG A 16 1.080 7.102 -9.291 1.00 0.00 N ATOM 255 CA ARG A 16 0.463 5.789 -9.387 1.00 0.00 C ATOM 256 C ARG A 16 1.357 4.809 -10.158 1.00 0.00 C ATOM 257 O ARG A 16 1.445 3.632 -9.831 1.00 0.00 O ATOM 258 CB ARG A 16 -0.895 5.915 -10.079 1.00 0.00 C ATOM 259 CG ARG A 16 -1.626 4.574 -10.154 1.00 0.00 C ATOM 260 CD ARG A 16 -2.985 4.706 -10.843 1.00 0.00 C ATOM 261 NE ARG A 16 -3.655 3.420 -10.873 1.00 0.00 N ATOM 262 CZ ARG A 16 -4.704 3.256 -11.703 1.00 0.00 C ATOM 263 NH1 ARG A 16 -5.107 4.256 -12.482 1.00 0.00 N ATOM 264 NH2 ARG A 16 -5.337 2.087 -11.744 1.00 0.00 N ATOM 0 H ARG A 16 0.443 7.895 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 16 0.328 5.396 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.511 6.634 -9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.754 6.308 -11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.012 3.855 -10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.765 4.179 -9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.601 5.433 -10.314 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.852 5.079 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.338 2.655 -10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.621 5.153 -12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.902 4.126 -13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.028 1.319 -11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.131 1.959 -12.371 1.00 0.00 H new ATOM 278 N ALA A 17 2.016 5.369 -11.190 1.00 0.00 N ATOM 279 CA ALA A 17 2.896 4.525 -11.973 1.00 0.00 C ATOM 280 C ALA A 17 4.122 4.143 -11.141 1.00 0.00 C ATOM 281 O ALA A 17 4.367 2.980 -10.844 1.00 0.00 O ATOM 282 CB ALA A 17 3.328 5.264 -13.240 1.00 0.00 C ATOM 0 H ALA A 17 1.955 6.345 -11.479 1.00 0.00 H new ATOM 0 HA ALA A 17 2.365 3.616 -12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.990 4.626 -13.826 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.448 5.516 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.855 6.178 -12.966 1.00 0.00 H new ATOM 288 N LYS A 18 4.875 5.203 -10.796 1.00 0.00 N ATOM 289 CA LYS A 18 6.098 4.969 -10.052 1.00 0.00 C ATOM 290 C LYS A 18 5.866 3.925 -8.955 1.00 0.00 C ATOM 291 O LYS A 18 6.679 3.036 -8.732 1.00 0.00 O ATOM 292 CB LYS A 18 6.595 6.278 -9.445 1.00 0.00 C ATOM 293 CG LYS A 18 7.955 6.097 -8.772 1.00 0.00 C ATOM 294 CD LYS A 18 9.049 5.658 -9.749 1.00 0.00 C ATOM 295 CE LYS A 18 9.408 6.736 -10.770 1.00 0.00 C ATOM 296 NZ LYS A 18 8.400 6.901 -11.811 1.00 0.00 N ATOM 0 H LYS A 18 4.664 6.177 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 18 6.857 4.586 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.670 7.037 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.871 6.641 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.250 7.035 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.866 5.356 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.942 5.387 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.719 4.762 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.545 7.686 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.362 6.485 -11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.868 7.082 -12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.829 6.035 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.783 7.704 -11.573 1.00 0.00 H new ATOM 310 N ALA A 19 4.703 4.086 -8.296 1.00 0.00 N ATOM 311 CA ALA A 19 4.371 3.130 -7.258 1.00 0.00 C ATOM 312 C ALA A 19 4.586 1.715 -7.794 1.00 0.00 C ATOM 313 O ALA A 19 5.365 0.929 -7.269 1.00 0.00 O ATOM 314 CB ALA A 19 2.914 3.312 -6.832 1.00 0.00 C ATOM 0 H ALA A 19 4.022 4.828 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 19 5.012 3.292 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.670 2.591 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.770 4.323 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.261 3.152 -7.690 1.00 0.00 H new ATOM 320 N GLU A 20 3.842 1.462 -8.885 1.00 0.00 N ATOM 321 CA GLU A 20 3.991 0.180 -9.544 1.00 0.00 C ATOM 322 C GLU A 20 5.473 -0.122 -9.776 1.00 0.00 C ATOM 323 O GLU A 20 5.954 -1.225 -9.546 1.00 0.00 O ATOM 324 CB GLU A 20 3.270 0.219 -10.892 1.00 0.00 C ATOM 325 CG GLU A 20 1.758 0.378 -10.728 1.00 0.00 C ATOM 326 CD GLU A 20 1.088 0.415 -12.103 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.735 0.837 -13.059 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.071 0.016 -12.202 1.00 0.00 O ATOM 0 H GLU A 20 3.166 2.102 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 20 3.561 -0.598 -8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.659 1.045 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.481 -0.698 -11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.358 -0.448 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.537 1.294 -10.181 1.00 0.00 H new ATOM 335 N GLU A 21 6.152 0.932 -10.261 1.00 0.00 N ATOM 336 CA GLU A 21 7.529 0.739 -10.667 1.00 0.00 C ATOM 337 C GLU A 21 8.376 0.239 -9.495 1.00 0.00 C ATOM 338 O GLU A 21 8.664 -0.946 -9.373 1.00 0.00 O ATOM 339 CB GLU A 21 8.084 2.045 -11.232 1.00 0.00 C ATOM 340 CG GLU A 21 7.188 2.585 -12.347 1.00 0.00 C ATOM 341 CD GLU A 21 7.844 3.801 -13.004 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.983 3.682 -13.453 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.210 4.853 -13.057 1.00 0.00 O ATOM 0 H GLU A 21 5.782 1.876 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 21 7.568 -0.023 -11.446 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.165 2.785 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.090 1.880 -11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.013 1.809 -13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.215 2.862 -11.941 1.00 0.00 H new ATOM 350 N MET A 22 8.778 1.211 -8.657 1.00 0.00 N ATOM 351 CA MET A 22 9.688 0.817 -7.598 1.00 0.00 C ATOM 352 C MET A 22 9.137 -0.399 -6.844 1.00 0.00 C ATOM 353 O MET A 22 9.865 -1.323 -6.502 1.00 0.00 O ATOM 354 CB MET A 22 9.953 1.979 -6.642 1.00 0.00 C ATOM 355 CG MET A 22 8.722 2.348 -5.812 1.00 0.00 C ATOM 356 SD MET A 22 9.079 3.699 -4.677 1.00 0.00 S ATOM 357 CE MET A 22 8.383 5.038 -5.655 1.00 0.00 C ATOM 0 H MET A 22 8.508 2.194 -8.691 1.00 0.00 H new ATOM 0 HA MET A 22 10.639 0.537 -8.051 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.772 1.715 -5.973 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.276 2.849 -7.214 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.906 2.634 -6.475 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.386 1.477 -5.250 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.094 5.857 -4.997 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.126 5.391 -6.370 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.506 4.678 -6.192 1.00 0.00 H new ATOM 367 N LEU A 23 7.812 -0.342 -6.614 1.00 0.00 N ATOM 368 CA LEU A 23 7.206 -1.439 -5.883 1.00 0.00 C ATOM 369 C LEU A 23 7.336 -2.782 -6.621 1.00 0.00 C ATOM 370 O LEU A 23 7.338 -3.841 -6.007 1.00 0.00 O ATOM 371 CB LEU A 23 5.728 -1.145 -5.645 1.00 0.00 C ATOM 372 CG LEU A 23 5.105 -2.208 -4.744 1.00 0.00 C ATOM 373 CD1 LEU A 23 5.731 -2.163 -3.351 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.592 -2.027 -4.657 1.00 0.00 C ATOM 0 H LEU A 23 7.184 0.407 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 23 7.740 -1.525 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.617 -0.162 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.200 -1.114 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 23 5.306 -3.186 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.275 -2.928 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.802 -2.348 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.563 -1.181 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.170 -2.796 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.366 -1.043 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.157 -2.113 -5.653 1.00 0.00 H new ATOM 386 N SER A 24 7.433 -2.685 -7.961 1.00 0.00 N ATOM 387 CA SER A 24 7.543 -3.921 -8.726 1.00 0.00 C ATOM 388 C SER A 24 8.922 -4.583 -8.545 1.00 0.00 C ATOM 389 O SER A 24 9.062 -5.798 -8.627 1.00 0.00 O ATOM 390 CB SER A 24 7.286 -3.647 -10.209 1.00 0.00 C ATOM 391 OG SER A 24 8.260 -2.783 -10.735 1.00 0.00 O ATOM 0 H SER A 24 7.437 -1.819 -8.500 1.00 0.00 H new ATOM 0 HA SER A 24 6.789 -4.612 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.290 -4.586 -10.762 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.297 -3.207 -10.336 1.00 0.00 H new ATOM 0 HG SER A 24 8.224 -1.924 -10.264 1.00 0.00 H new ATOM 397 N LYS A 25 9.923 -3.721 -8.290 1.00 0.00 N ATOM 398 CA LYS A 25 11.259 -4.230 -8.054 1.00 0.00 C ATOM 399 C LYS A 25 11.348 -4.914 -6.682 1.00 0.00 C ATOM 400 O LYS A 25 12.354 -4.818 -5.989 1.00 0.00 O ATOM 401 CB LYS A 25 12.226 -3.050 -8.117 1.00 0.00 C ATOM 402 CG LYS A 25 12.340 -2.490 -9.536 1.00 0.00 C ATOM 403 CD LYS A 25 12.729 -1.013 -9.537 1.00 0.00 C ATOM 404 CE LYS A 25 13.338 -0.580 -10.871 1.00 0.00 C ATOM 405 NZ LYS A 25 12.389 -0.681 -11.973 1.00 0.00 N ATOM 0 H LYS A 25 9.826 -2.707 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 25 11.512 -4.974 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.887 -2.265 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.210 -3.366 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.083 -3.061 -10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.389 -2.615 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.848 -0.406 -9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.443 -0.826 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.689 0.449 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.209 -1.198 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.848 -0.377 -12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.073 -1.667 -12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.569 -0.071 -11.782 1.00 0.00 H new ATOM 419 N GLN A 26 10.245 -5.606 -6.334 1.00 0.00 N ATOM 420 CA GLN A 26 10.247 -6.288 -5.046 1.00 0.00 C ATOM 421 C GLN A 26 10.071 -7.817 -5.170 1.00 0.00 C ATOM 422 O GLN A 26 9.702 -8.483 -4.210 1.00 0.00 O ATOM 423 CB GLN A 26 9.109 -5.718 -4.209 1.00 0.00 C ATOM 424 CG GLN A 26 9.172 -4.195 -4.151 1.00 0.00 C ATOM 425 CD GLN A 26 10.322 -3.737 -3.253 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.185 -4.510 -2.857 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.251 -2.429 -2.945 1.00 0.00 N ATOM 0 H GLN A 26 9.397 -5.700 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 26 11.218 -6.121 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.153 -6.029 -4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.159 -6.125 -3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.305 -3.793 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.229 -3.801 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.495 -1.857 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.953 -2.010 -2.336 1.00 0.00 H new ATOM 436 N ARG A 27 10.358 -8.308 -6.393 1.00 0.00 N ATOM 437 CA ARG A 27 10.292 -9.722 -6.724 1.00 0.00 C ATOM 438 C ARG A 27 9.413 -10.500 -5.740 1.00 0.00 C ATOM 439 O ARG A 27 9.848 -11.443 -5.090 1.00 0.00 O ATOM 440 CB ARG A 27 11.705 -10.289 -6.758 1.00 0.00 C ATOM 441 CG ARG A 27 12.521 -9.641 -7.870 1.00 0.00 C ATOM 442 CD ARG A 27 11.990 -10.011 -9.255 1.00 0.00 C ATOM 443 NE ARG A 27 12.034 -11.450 -9.440 1.00 0.00 N ATOM 444 CZ ARG A 27 13.177 -12.015 -9.872 1.00 0.00 C ATOM 445 NH1 ARG A 27 14.245 -11.261 -10.123 1.00 0.00 N ATOM 446 NH2 ARG A 27 13.240 -13.331 -10.047 1.00 0.00 N ATOM 0 H ARG A 27 10.643 -7.719 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 27 9.830 -9.829 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.192 -10.121 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.665 -11.368 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.501 -8.558 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.562 -9.952 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.966 -9.654 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.586 -9.520 -10.024 1.00 0.00 H new ATOM 0 HE ARG A 27 11.213 -12.023 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.199 -10.251 -9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.109 -11.693 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.423 -13.911 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.105 -13.761 -10.374 1.00 0.00 H new ATOM 460 N HIS A 28 8.153 -10.035 -5.682 1.00 0.00 N ATOM 461 CA HIS A 28 7.211 -10.673 -4.782 1.00 0.00 C ATOM 462 C HIS A 28 7.877 -10.942 -3.432 1.00 0.00 C ATOM 463 O HIS A 28 8.548 -11.946 -3.231 1.00 0.00 O ATOM 464 CB HIS A 28 6.708 -11.980 -5.395 1.00 0.00 C ATOM 465 CG HIS A 28 5.667 -12.582 -4.481 1.00 0.00 C ATOM 466 ND1 HIS A 28 4.367 -12.214 -4.477 1.00 0.00 N ATOM 467 CD2 HIS A 28 5.849 -13.582 -3.512 1.00 0.00 C ATOM 468 CE1 HIS A 28 3.777 -12.969 -3.533 1.00 0.00 C ATOM 469 NE2 HIS A 28 4.646 -13.804 -2.934 1.00 0.00 N ATOM 0 H HIS A 28 7.786 -9.254 -6.226 1.00 0.00 H new ATOM 0 HA HIS A 28 6.361 -10.008 -4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.282 -11.794 -6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.536 -12.675 -5.532 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.776 -14.081 -3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.728 -12.912 -3.285 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.439 -14.472 -2.191 1.00 0.00 H new ATOM 477 N ASP A 29 7.628 -9.981 -2.524 1.00 0.00 N ATOM 478 CA ASP A 29 8.188 -10.150 -1.195 1.00 0.00 C ATOM 479 C ASP A 29 7.421 -9.336 -0.144 1.00 0.00 C ATOM 480 O ASP A 29 7.983 -8.928 0.865 1.00 0.00 O ATOM 481 CB ASP A 29 9.661 -9.740 -1.192 1.00 0.00 C ATOM 482 CG ASP A 29 10.465 -10.652 -2.121 1.00 0.00 C ATOM 483 OD1 ASP A 29 10.524 -11.852 -1.859 1.00 0.00 O ATOM 484 OD2 ASP A 29 11.027 -10.152 -3.095 1.00 0.00 O ATOM 0 H ASP A 29 7.078 -9.136 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 29 8.098 -11.204 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.758 -8.703 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.060 -9.797 -0.179 1.00 0.00 H new ATOM 489 N GLY A 30 6.117 -9.131 -0.415 1.00 0.00 N ATOM 490 CA GLY A 30 5.363 -8.412 0.596 1.00 0.00 C ATOM 491 C GLY A 30 5.605 -6.889 0.564 1.00 0.00 C ATOM 492 O GLY A 30 4.910 -6.133 1.233 1.00 0.00 O ATOM 0 H GLY A 30 5.611 -9.427 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.300 -8.608 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.630 -8.795 1.581 1.00 0.00 H new ATOM 496 N ALA A 31 6.606 -6.473 -0.242 1.00 0.00 N ATOM 497 CA ALA A 31 6.846 -5.044 -0.362 1.00 0.00 C ATOM 498 C ALA A 31 5.507 -4.326 -0.542 1.00 0.00 C ATOM 499 O ALA A 31 4.756 -4.600 -1.471 1.00 0.00 O ATOM 500 CB ALA A 31 7.761 -4.769 -1.555 1.00 0.00 C ATOM 0 H ALA A 31 7.222 -7.077 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 31 7.334 -4.675 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.937 -3.697 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.712 -5.282 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.288 -5.132 -2.468 1.00 0.00 H new ATOM 506 N PHE A 32 5.242 -3.414 0.414 1.00 0.00 N ATOM 507 CA PHE A 32 3.924 -2.794 0.378 1.00 0.00 C ATOM 508 C PHE A 32 4.017 -1.267 0.361 1.00 0.00 C ATOM 509 O PHE A 32 4.957 -0.651 0.846 1.00 0.00 O ATOM 510 CB PHE A 32 3.083 -3.262 1.564 1.00 0.00 C ATOM 511 CG PHE A 32 3.633 -2.750 2.861 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.863 -3.284 3.386 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.938 -1.720 3.590 1.00 0.00 C ATOM 514 CE1 PHE A 32 5.396 -2.791 4.628 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.466 -1.229 4.835 1.00 0.00 C ATOM 516 CZ PHE A 32 4.696 -1.766 5.354 1.00 0.00 C ATOM 0 H PHE A 32 5.871 -3.115 1.159 1.00 0.00 H new ATOM 0 HA PHE A 32 3.438 -3.106 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.056 -2.918 1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.054 -4.351 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.388 -4.058 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.016 -1.314 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.322 -3.191 5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.940 -0.459 5.379 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.093 -1.399 6.289 1.00 0.00 H new ATOM 526 N LEU A 33 2.962 -0.730 -0.273 1.00 0.00 N ATOM 527 CA LEU A 33 2.912 0.677 -0.619 1.00 0.00 C ATOM 528 C LEU A 33 1.796 1.343 0.173 1.00 0.00 C ATOM 529 O LEU A 33 0.744 0.760 0.403 1.00 0.00 O ATOM 530 CB LEU A 33 2.514 0.745 -2.095 1.00 0.00 C ATOM 531 CG LEU A 33 3.052 1.919 -2.913 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.287 3.207 -2.628 1.00 0.00 C ATOM 533 CD2 LEU A 33 4.561 2.083 -2.752 1.00 0.00 C ATOM 0 H LEU A 33 2.137 -1.260 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 33 3.866 1.163 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.840 -0.178 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.426 0.766 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 33 2.881 1.685 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.701 4.017 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.235 3.069 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.377 3.457 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.901 2.928 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.798 2.262 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.063 1.176 -3.088 1.00 0.00 H new ATOM 545 N ILE A 34 2.049 2.618 0.511 1.00 0.00 N ATOM 546 CA ILE A 34 0.874 3.438 0.724 1.00 0.00 C ATOM 547 C ILE A 34 1.172 4.872 0.297 1.00 0.00 C ATOM 548 O ILE A 34 2.094 5.518 0.777 1.00 0.00 O ATOM 549 CB ILE A 34 0.403 3.396 2.178 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.149 2.015 2.533 1.00 0.00 C ATOM 551 CG2 ILE A 34 -0.658 4.472 2.408 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.813 2.000 3.912 1.00 0.00 C ATOM 0 H ILE A 34 2.961 3.058 0.630 1.00 0.00 H new ATOM 0 HA ILE A 34 0.064 3.036 0.116 1.00 0.00 H new ATOM 0 HB ILE A 34 1.256 3.592 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.874 1.709 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.660 1.285 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.991 4.439 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.234 5.453 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.507 4.293 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.191 1.000 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.082 2.279 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.640 2.710 3.926 1.00 0.00 H new ATOM 564 N ARG A 35 0.331 5.308 -0.657 1.00 0.00 N ATOM 565 CA ARG A 35 0.582 6.607 -1.246 1.00 0.00 C ATOM 566 C ARG A 35 -0.473 7.614 -0.784 1.00 0.00 C ATOM 567 O ARG A 35 -1.674 7.386 -0.869 1.00 0.00 O ATOM 568 CB ARG A 35 0.577 6.469 -2.768 1.00 0.00 C ATOM 569 CG ARG A 35 -0.758 5.933 -3.284 1.00 0.00 C ATOM 570 CD ARG A 35 -0.684 5.576 -4.769 1.00 0.00 C ATOM 571 NE ARG A 35 -1.967 5.075 -5.224 1.00 0.00 N ATOM 572 CZ ARG A 35 -2.007 4.287 -6.314 1.00 0.00 C ATOM 573 NH1 ARG A 35 -0.886 3.974 -6.959 1.00 0.00 N ATOM 574 NH2 ARG A 35 -3.173 3.820 -6.751 1.00 0.00 N ATOM 0 H ARG A 35 -0.481 4.803 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 35 1.555 6.977 -0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.779 7.439 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.381 5.800 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.043 5.051 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.536 6.680 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.401 6.455 -5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.088 4.824 -4.933 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.824 5.316 -4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.010 4.332 -6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.923 3.376 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.034 4.059 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.206 3.223 -7.577 1.00 0.00 H new ATOM 588 N GLU A 36 0.073 8.739 -0.287 1.00 0.00 N ATOM 589 CA GLU A 36 -0.804 9.787 0.203 1.00 0.00 C ATOM 590 C GLU A 36 -1.554 10.426 -0.967 1.00 0.00 C ATOM 591 O GLU A 36 -0.992 10.712 -2.017 1.00 0.00 O ATOM 592 CB GLU A 36 0.022 10.842 0.938 1.00 0.00 C ATOM 593 CG GLU A 36 -0.849 11.977 1.478 1.00 0.00 C ATOM 594 CD GLU A 36 -1.869 11.423 2.474 1.00 0.00 C ATOM 595 OE1 GLU A 36 -1.506 10.551 3.262 1.00 0.00 O ATOM 596 OE2 GLU A 36 -3.016 11.866 2.446 1.00 0.00 O ATOM 0 H GLU A 36 1.073 8.931 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.531 9.358 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.558 10.373 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.772 11.251 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.224 12.727 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.364 12.474 0.656 1.00 0.00 H new ATOM 603 N SER A 37 -2.858 10.628 -0.708 1.00 0.00 N ATOM 604 CA SER A 37 -3.690 11.243 -1.717 1.00 0.00 C ATOM 605 C SER A 37 -2.949 12.407 -2.379 1.00 0.00 C ATOM 606 O SER A 37 -2.587 13.389 -1.741 1.00 0.00 O ATOM 607 CB SER A 37 -4.958 11.750 -1.035 1.00 0.00 C ATOM 608 OG SER A 37 -4.651 12.784 -0.134 1.00 0.00 O ATOM 0 H SER A 37 -3.330 10.380 0.161 1.00 0.00 H new ATOM 0 HA SER A 37 -3.939 10.518 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.663 12.110 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.446 10.931 -0.506 1.00 0.00 H new ATOM 0 HG SER A 37 -5.470 13.270 0.097 1.00 0.00 H new ATOM 614 N GLU A 38 -2.760 12.231 -3.698 1.00 0.00 N ATOM 615 CA GLU A 38 -2.126 13.302 -4.441 1.00 0.00 C ATOM 616 C GLU A 38 -2.939 14.588 -4.267 1.00 0.00 C ATOM 617 O GLU A 38 -2.695 15.389 -3.372 1.00 0.00 O ATOM 618 CB GLU A 38 -2.023 12.918 -5.918 1.00 0.00 C ATOM 619 CG GLU A 38 -1.370 14.017 -6.752 1.00 0.00 C ATOM 620 CD GLU A 38 -1.291 13.582 -8.217 1.00 0.00 C ATOM 621 OE1 GLU A 38 -0.396 12.808 -8.552 1.00 0.00 O ATOM 622 OE2 GLU A 38 -2.122 14.026 -9.008 1.00 0.00 O ATOM 0 H GLU A 38 -3.023 11.405 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.118 13.470 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.445 11.999 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.019 12.710 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.945 14.939 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.371 14.229 -6.372 1.00 0.00 H new ATOM 629 N SER A 39 -3.918 14.727 -5.180 1.00 0.00 N ATOM 630 CA SER A 39 -4.780 15.890 -5.086 1.00 0.00 C ATOM 631 C SER A 39 -6.197 15.456 -4.696 1.00 0.00 C ATOM 632 O SER A 39 -7.187 15.909 -5.258 1.00 0.00 O ATOM 633 CB SER A 39 -4.803 16.624 -6.427 1.00 0.00 C ATOM 634 OG SER A 39 -5.312 15.793 -7.438 1.00 0.00 O ATOM 0 H SER A 39 -4.116 14.082 -5.945 1.00 0.00 H new ATOM 0 HA SER A 39 -4.395 16.564 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.415 17.522 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.795 16.947 -6.688 1.00 0.00 H new ATOM 0 HG SER A 39 -5.321 16.280 -8.288 1.00 0.00 H new ATOM 640 N ALA A 40 -6.221 14.546 -3.705 1.00 0.00 N ATOM 641 CA ALA A 40 -7.507 14.033 -3.274 1.00 0.00 C ATOM 642 C ALA A 40 -7.562 14.011 -1.743 1.00 0.00 C ATOM 643 O ALA A 40 -6.540 13.977 -1.067 1.00 0.00 O ATOM 644 CB ALA A 40 -7.700 12.623 -3.833 1.00 0.00 C ATOM 0 H ALA A 40 -5.405 14.175 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.306 14.675 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.666 12.233 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.666 12.656 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.906 11.974 -3.465 1.00 0.00 H new ATOM 650 N PRO A 41 -8.815 14.033 -1.231 1.00 0.00 N ATOM 651 CA PRO A 41 -9.086 13.972 0.199 1.00 0.00 C ATOM 652 C PRO A 41 -8.239 12.931 0.956 1.00 0.00 C ATOM 653 O PRO A 41 -7.017 13.006 0.983 1.00 0.00 O ATOM 654 CB PRO A 41 -10.594 13.692 0.264 1.00 0.00 C ATOM 655 CG PRO A 41 -11.155 14.263 -1.036 1.00 0.00 C ATOM 656 CD PRO A 41 -10.018 14.119 -2.051 1.00 0.00 C ATOM 0 HA PRO A 41 -8.807 14.896 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.794 12.624 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.047 14.169 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.043 13.718 -1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.448 15.306 -0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.145 13.229 -2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.978 14.972 -2.728 1.00 0.00 H new ATOM 664 N GLY A 42 -8.953 11.971 1.573 1.00 0.00 N ATOM 665 CA GLY A 42 -8.234 10.955 2.317 1.00 0.00 C ATOM 666 C GLY A 42 -8.123 9.674 1.489 1.00 0.00 C ATOM 667 O GLY A 42 -8.713 8.646 1.802 1.00 0.00 O ATOM 0 H GLY A 42 -9.970 11.888 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.239 11.318 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.750 10.747 3.255 1.00 0.00 H new ATOM 671 N ASP A 43 -7.323 9.813 0.419 1.00 0.00 N ATOM 672 CA ASP A 43 -7.139 8.668 -0.453 1.00 0.00 C ATOM 673 C ASP A 43 -5.944 7.840 0.024 1.00 0.00 C ATOM 674 O ASP A 43 -4.808 8.297 0.052 1.00 0.00 O ATOM 675 CB ASP A 43 -6.905 9.144 -1.887 1.00 0.00 C ATOM 676 CG ASP A 43 -6.801 7.938 -2.825 1.00 0.00 C ATOM 677 OD1 ASP A 43 -7.010 6.817 -2.364 1.00 0.00 O ATOM 678 OD2 ASP A 43 -6.511 8.134 -4.003 1.00 0.00 O ATOM 0 H ASP A 43 -6.823 10.662 0.155 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.035 8.047 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.723 9.792 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.991 9.736 -1.939 1.00 0.00 H new ATOM 683 N PHE A 44 -6.285 6.591 0.390 1.00 0.00 N ATOM 684 CA PHE A 44 -5.236 5.698 0.840 1.00 0.00 C ATOM 685 C PHE A 44 -5.345 4.366 0.095 1.00 0.00 C ATOM 686 O PHE A 44 -6.316 3.631 0.225 1.00 0.00 O ATOM 687 CB PHE A 44 -5.365 5.469 2.346 1.00 0.00 C ATOM 688 CG PHE A 44 -5.281 6.759 3.110 1.00 0.00 C ATOM 689 CD1 PHE A 44 -4.374 7.797 2.689 1.00 0.00 C ATOM 690 CD2 PHE A 44 -6.106 6.966 4.272 1.00 0.00 C ATOM 691 CE1 PHE A 44 -4.295 9.033 3.422 1.00 0.00 C ATOM 692 CE2 PHE A 44 -6.029 8.201 5.008 1.00 0.00 C ATOM 693 CZ PHE A 44 -5.123 9.233 4.582 1.00 0.00 C ATOM 0 H PHE A 44 -7.229 6.205 0.381 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.264 6.145 0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.315 4.980 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.577 4.795 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.751 7.647 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.786 6.191 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.616 9.809 3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.650 8.352 5.878 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.064 10.160 5.133 1.00 0.00 H new ATOM 703 N SER A 45 -4.282 4.110 -0.687 1.00 0.00 N ATOM 704 CA SER A 45 -4.267 2.867 -1.434 1.00 0.00 C ATOM 705 C SER A 45 -2.993 2.086 -1.100 1.00 0.00 C ATOM 706 O SER A 45 -1.904 2.638 -0.990 1.00 0.00 O ATOM 707 CB SER A 45 -4.347 3.155 -2.933 1.00 0.00 C ATOM 708 OG SER A 45 -3.262 3.946 -3.346 1.00 0.00 O ATOM 0 H SER A 45 -3.471 4.716 -0.808 1.00 0.00 H new ATOM 0 HA SER A 45 -5.132 2.265 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.352 2.217 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.283 3.665 -3.161 1.00 0.00 H new ATOM 0 HG SER A 45 -2.474 3.378 -3.476 1.00 0.00 H new ATOM 714 N LEU A 46 -3.219 0.770 -0.932 1.00 0.00 N ATOM 715 CA LEU A 46 -2.109 -0.074 -0.535 1.00 0.00 C ATOM 716 C LEU A 46 -1.715 -0.990 -1.698 1.00 0.00 C ATOM 717 O LEU A 46 -2.499 -1.800 -2.177 1.00 0.00 O ATOM 718 CB LEU A 46 -2.521 -0.899 0.687 1.00 0.00 C ATOM 719 CG LEU A 46 -1.334 -1.516 1.430 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.772 -2.003 2.812 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.714 -2.668 0.639 1.00 0.00 C ATOM 0 H LEU A 46 -4.115 0.299 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.247 0.541 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.080 -0.263 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.195 -1.695 0.369 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.575 -0.742 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.919 -2.440 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.156 -1.162 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.554 -2.755 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.126 -3.082 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.462 -3.445 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.363 -2.300 -0.325 1.00 0.00 H new ATOM 733 N SER A 47 -0.451 -0.802 -2.116 1.00 0.00 N ATOM 734 CA SER A 47 0.026 -1.605 -3.227 1.00 0.00 C ATOM 735 C SER A 47 1.116 -2.569 -2.741 1.00 0.00 C ATOM 736 O SER A 47 2.132 -2.167 -2.188 1.00 0.00 O ATOM 737 CB SER A 47 0.559 -0.685 -4.328 1.00 0.00 C ATOM 738 OG SER A 47 -0.449 0.185 -4.775 1.00 0.00 O ATOM 0 H SER A 47 0.216 -0.139 -1.722 1.00 0.00 H new ATOM 0 HA SER A 47 -0.794 -2.196 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.404 -0.109 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.928 -1.282 -5.162 1.00 0.00 H new ATOM 0 HG SER A 47 -0.975 -0.256 -5.474 1.00 0.00 H new ATOM 744 N VAL A 48 0.832 -3.862 -2.979 1.00 0.00 N ATOM 745 CA VAL A 48 1.791 -4.864 -2.547 1.00 0.00 C ATOM 746 C VAL A 48 2.393 -5.549 -3.770 1.00 0.00 C ATOM 747 O VAL A 48 1.741 -5.737 -4.790 1.00 0.00 O ATOM 748 CB VAL A 48 1.110 -5.915 -1.669 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.099 -7.011 -1.264 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.476 -5.267 -0.438 1.00 0.00 C ATOM 0 H VAL A 48 -0.006 -4.213 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 48 2.574 -4.372 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 48 0.315 -6.379 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.591 -7.747 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.487 -7.499 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.924 -6.569 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.002 -6.034 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.247 -4.767 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.270 -4.538 -0.754 1.00 0.00 H new ATOM 760 N LYS A 49 3.674 -5.916 -3.600 1.00 0.00 N ATOM 761 CA LYS A 49 4.288 -6.655 -4.683 1.00 0.00 C ATOM 762 C LYS A 49 3.655 -8.045 -4.756 1.00 0.00 C ATOM 763 O LYS A 49 4.117 -8.995 -4.138 1.00 0.00 O ATOM 764 CB LYS A 49 5.790 -6.785 -4.436 1.00 0.00 C ATOM 765 CG LYS A 49 6.489 -7.509 -5.589 1.00 0.00 C ATOM 766 CD LYS A 49 6.574 -6.659 -6.857 1.00 0.00 C ATOM 767 CE LYS A 49 6.917 -7.507 -8.083 1.00 0.00 C ATOM 768 NZ LYS A 49 6.826 -6.752 -9.327 1.00 0.00 N ATOM 0 H LYS A 49 4.257 -5.726 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 49 4.130 -6.127 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.226 -5.794 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.961 -7.329 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.495 -7.791 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.953 -8.432 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.623 -6.152 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.330 -5.885 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.927 -7.904 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.242 -8.362 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.496 -7.378 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.155 -5.967 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.763 -6.373 -9.572 1.00 0.00 H new ATOM 782 N PHE A 50 2.572 -8.098 -5.553 1.00 0.00 N ATOM 783 CA PHE A 50 1.917 -9.380 -5.697 1.00 0.00 C ATOM 784 C PHE A 50 2.523 -10.103 -6.898 1.00 0.00 C ATOM 785 O PHE A 50 2.731 -9.531 -7.960 1.00 0.00 O ATOM 786 CB PHE A 50 0.409 -9.189 -5.873 1.00 0.00 C ATOM 787 CG PHE A 50 -0.292 -10.506 -6.035 1.00 0.00 C ATOM 788 CD1 PHE A 50 -0.469 -11.078 -7.345 1.00 0.00 C ATOM 789 CD2 PHE A 50 -0.793 -11.207 -4.881 1.00 0.00 C ATOM 790 CE1 PHE A 50 -1.142 -12.340 -7.501 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.467 -12.469 -5.033 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.641 -13.035 -6.345 1.00 0.00 C ATOM 0 H PHE A 50 2.165 -7.318 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 50 2.069 -9.981 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.004 -8.663 -5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.219 -8.564 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.095 -10.557 -8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.662 -10.783 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.272 -12.765 -8.485 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.842 -12.991 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.147 -13.982 -6.461 1.00 0.00 H new ATOM 802 N GLY A 51 2.811 -11.390 -6.650 1.00 0.00 N ATOM 803 CA GLY A 51 3.461 -12.141 -7.706 1.00 0.00 C ATOM 804 C GLY A 51 2.827 -11.852 -9.062 1.00 0.00 C ATOM 805 O GLY A 51 1.619 -11.929 -9.252 1.00 0.00 O ATOM 0 H GLY A 51 2.616 -11.895 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.521 -11.888 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.394 -13.207 -7.491 1.00 0.00 H new ATOM 809 N ASN A 52 3.752 -11.526 -9.977 1.00 0.00 N ATOM 810 CA ASN A 52 3.363 -11.292 -11.353 1.00 0.00 C ATOM 811 C ASN A 52 2.857 -9.856 -11.551 1.00 0.00 C ATOM 812 O ASN A 52 3.017 -9.278 -12.619 1.00 0.00 O ATOM 813 CB ASN A 52 2.303 -12.308 -11.789 1.00 0.00 C ATOM 814 CG ASN A 52 2.204 -12.345 -13.316 1.00 0.00 C ATOM 815 OD1 ASN A 52 1.862 -11.162 -13.855 1.00 0.00 O flip ATOM 816 ND2 ASN A 52 2.420 -13.370 -13.952 1.00 0.00 N flip ATOM 0 H ASN A 52 4.748 -11.423 -9.785 1.00 0.00 H new ATOM 0 HA ASN A 52 4.245 -11.421 -11.981 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.559 -13.297 -11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.336 -12.043 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.675 -14.229 -13.464 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.345 -13.364 -14.969 1.00 0.00 H new ATOM 823 N ASP A 53 2.246 -9.306 -10.481 1.00 0.00 N ATOM 824 CA ASP A 53 1.727 -7.970 -10.707 1.00 0.00 C ATOM 825 C ASP A 53 1.605 -7.165 -9.410 1.00 0.00 C ATOM 826 O ASP A 53 1.377 -7.687 -8.327 1.00 0.00 O ATOM 827 CB ASP A 53 0.352 -8.043 -11.373 1.00 0.00 C ATOM 828 CG ASP A 53 0.419 -8.845 -12.673 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.031 -8.368 -13.627 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.148 -9.936 -12.717 1.00 0.00 O ATOM 0 H ASP A 53 2.115 -9.719 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 53 2.439 -7.462 -11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.363 -8.505 -10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.010 -7.036 -11.580 1.00 0.00 H new ATOM 835 N VAL A 54 1.751 -5.845 -9.627 1.00 0.00 N ATOM 836 CA VAL A 54 1.479 -4.918 -8.545 1.00 0.00 C ATOM 837 C VAL A 54 -0.027 -4.893 -8.280 1.00 0.00 C ATOM 838 O VAL A 54 -0.832 -4.558 -9.139 1.00 0.00 O ATOM 839 CB VAL A 54 1.965 -3.521 -8.931 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.434 -2.474 -7.953 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.492 -3.479 -9.001 1.00 0.00 C ATOM 0 H VAL A 54 2.044 -5.422 -10.508 1.00 0.00 H new ATOM 0 HA VAL A 54 2.003 -5.236 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 54 1.575 -3.286 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.792 -1.487 -8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.344 -2.483 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.787 -2.704 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.816 -2.476 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.908 -3.740 -8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.842 -4.192 -9.748 1.00 0.00 H new ATOM 851 N GLN A 55 -0.341 -5.282 -7.033 1.00 0.00 N ATOM 852 CA GLN A 55 -1.742 -5.357 -6.670 1.00 0.00 C ATOM 853 C GLN A 55 -2.131 -4.132 -5.843 1.00 0.00 C ATOM 854 O GLN A 55 -1.297 -3.440 -5.274 1.00 0.00 O ATOM 855 CB GLN A 55 -1.993 -6.646 -5.892 1.00 0.00 C ATOM 856 CG GLN A 55 -3.442 -6.787 -5.428 1.00 0.00 C ATOM 857 CD GLN A 55 -3.647 -8.154 -4.766 1.00 0.00 C ATOM 858 OE1 GLN A 55 -2.569 -8.583 -4.082 1.00 0.00 O flip ATOM 859 NE2 GLN A 55 -4.696 -8.776 -4.883 1.00 0.00 N flip ATOM 0 H GLN A 55 0.325 -5.535 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.358 -5.367 -7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.733 -7.499 -6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.334 -6.675 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.686 -5.992 -4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.117 -6.679 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.467 -8.379 -5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.798 -9.691 -4.444 1.00 0.00 H new ATOM 868 N HIS A 56 -3.457 -3.910 -5.845 1.00 0.00 N ATOM 869 CA HIS A 56 -3.949 -2.711 -5.198 1.00 0.00 C ATOM 870 C HIS A 56 -5.062 -3.052 -4.206 1.00 0.00 C ATOM 871 O HIS A 56 -5.982 -3.810 -4.490 1.00 0.00 O ATOM 872 CB HIS A 56 -4.481 -1.742 -6.254 1.00 0.00 C ATOM 873 CG HIS A 56 -3.361 -1.336 -7.181 1.00 0.00 C ATOM 874 ND1 HIS A 56 -1.999 -1.188 -6.868 1.00 0.00 N flip ATOM 875 CD2 HIS A 56 -3.532 -1.046 -8.490 1.00 0.00 C flip ATOM 876 CE1 HIS A 56 -1.366 -0.807 -8.002 1.00 0.00 C flip ATOM 877 NE2 HIS A 56 -2.311 -0.731 -8.956 1.00 0.00 N flip ATOM 0 H HIS A 56 -4.162 -4.515 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.128 -2.246 -4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.284 -2.212 -6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.905 -0.861 -5.772 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.458 -1.064 -9.046 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.312 -0.604 -8.118 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -2.123 -0.465 -9.922 1.00 0.00 H new ATOM 885 N PHE A 57 -4.909 -2.417 -3.031 1.00 0.00 N ATOM 886 CA PHE A 57 -5.950 -2.531 -2.030 1.00 0.00 C ATOM 887 C PHE A 57 -6.324 -1.131 -1.547 1.00 0.00 C ATOM 888 O PHE A 57 -5.620 -0.512 -0.759 1.00 0.00 O ATOM 889 CB PHE A 57 -5.457 -3.359 -0.844 1.00 0.00 C ATOM 890 CG PHE A 57 -5.092 -4.756 -1.252 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.084 -5.800 -1.223 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.749 -5.065 -1.671 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.736 -7.143 -1.605 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.398 -6.407 -2.054 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.393 -7.446 -2.019 1.00 0.00 C ATOM 0 H PHE A 57 -4.105 -1.846 -2.770 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.818 -3.025 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.590 -2.873 -0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.232 -3.395 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.094 -5.574 -0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.002 -4.286 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.483 -7.923 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.390 -6.634 -2.367 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.131 -8.454 -2.304 1.00 0.00 H new ATOM 905 N LYS A 58 -7.476 -0.677 -2.069 1.00 0.00 N ATOM 906 CA LYS A 58 -7.892 0.656 -1.683 1.00 0.00 C ATOM 907 C LYS A 58 -8.329 0.656 -0.218 1.00 0.00 C ATOM 908 O LYS A 58 -9.323 0.050 0.163 1.00 0.00 O ATOM 909 CB LYS A 58 -9.037 1.135 -2.575 1.00 0.00 C ATOM 910 CG LYS A 58 -8.616 1.217 -4.041 1.00 0.00 C ATOM 911 CD LYS A 58 -9.710 1.826 -4.918 1.00 0.00 C ATOM 912 CE LYS A 58 -10.983 0.981 -4.915 1.00 0.00 C ATOM 913 NZ LYS A 58 -12.031 1.554 -5.751 1.00 0.00 N ATOM 0 H LYS A 58 -8.088 -1.179 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.051 1.338 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.883 0.455 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.375 2.115 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.709 1.816 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.374 0.219 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.941 2.831 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.343 1.925 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.750 -0.024 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.349 0.884 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.874 0.946 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.274 2.503 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.693 1.623 -6.732 1.00 0.00 H new ATOM 927 N VAL A 59 -7.521 1.390 0.566 1.00 0.00 N ATOM 928 CA VAL A 59 -7.907 1.570 1.950 1.00 0.00 C ATOM 929 C VAL A 59 -9.057 2.576 2.007 1.00 0.00 C ATOM 930 O VAL A 59 -8.862 3.776 2.164 1.00 0.00 O ATOM 931 CB VAL A 59 -6.713 2.077 2.755 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.118 2.349 4.204 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.550 1.086 2.690 1.00 0.00 C ATOM 0 H VAL A 59 -6.651 1.838 0.278 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.232 0.622 2.378 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.378 3.015 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.254 2.710 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.905 3.103 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.485 1.428 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.712 1.470 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.866 0.127 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.242 0.954 1.653 1.00 0.00 H new ATOM 943 N LEU A 60 -10.260 1.999 1.850 1.00 0.00 N ATOM 944 CA LEU A 60 -11.425 2.846 1.729 1.00 0.00 C ATOM 945 C LEU A 60 -11.863 3.371 3.095 1.00 0.00 C ATOM 946 O LEU A 60 -11.547 2.820 4.141 1.00 0.00 O ATOM 947 CB LEU A 60 -12.560 2.043 1.102 1.00 0.00 C ATOM 948 CG LEU A 60 -12.174 1.465 -0.261 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.325 0.653 -0.852 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.740 2.569 -1.226 1.00 0.00 C ATOM 0 H LEU A 60 -10.434 0.995 1.807 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.175 3.700 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.842 1.231 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.436 2.682 0.989 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.326 0.797 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.027 0.252 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.573 -0.169 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.197 1.295 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.472 2.128 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.560 3.273 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.878 3.094 -0.814 1.00 0.00 H new ATOM 962 N ARG A 61 -12.622 4.476 2.989 1.00 0.00 N ATOM 963 CA ARG A 61 -13.210 5.056 4.180 1.00 0.00 C ATOM 964 C ARG A 61 -14.728 5.109 3.998 1.00 0.00 C ATOM 965 O ARG A 61 -15.248 4.950 2.901 1.00 0.00 O ATOM 966 CB ARG A 61 -12.639 6.454 4.416 1.00 0.00 C ATOM 967 CG ARG A 61 -13.307 7.156 5.598 1.00 0.00 C ATOM 968 CD ARG A 61 -14.465 8.051 5.152 1.00 0.00 C ATOM 969 NE ARG A 61 -15.290 8.395 6.294 1.00 0.00 N ATOM 970 CZ ARG A 61 -14.775 9.181 7.255 1.00 0.00 C ATOM 971 NH1 ARG A 61 -13.545 9.672 7.135 1.00 0.00 N ATOM 972 NH2 ARG A 61 -15.501 9.463 8.331 1.00 0.00 N ATOM 0 H ARG A 61 -12.830 4.962 2.117 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.974 4.447 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.567 6.381 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.770 7.055 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.676 6.410 6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.568 7.757 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.077 8.957 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.065 7.537 4.400 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.246 8.046 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.987 9.453 6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.160 10.268 7.868 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.443 9.084 8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.116 10.059 9.064 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.311 4.085 9.668 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.872 4.232 9.563 1.00 0.00 C ATOM 1024 C LYS A 66 -12.368 3.680 8.221 1.00 0.00 C ATOM 1025 O LYS A 66 -13.040 3.766 7.200 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.213 3.538 10.756 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.890 3.928 12.072 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.234 3.293 13.302 1.00 0.00 C ATOM 1029 CE LYS A 66 -12.443 1.779 13.382 1.00 0.00 C ATOM 1030 NZ LYS A 66 -11.650 1.039 12.408 1.00 0.00 N ATOM 0 HA LYS A 66 -12.603 5.288 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.265 2.457 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.157 3.804 10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.868 5.013 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.939 3.633 12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.165 3.505 13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.638 3.757 14.202 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.188 1.436 14.385 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.499 1.555 13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.304 0.158 12.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.239 0.812 11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.840 1.618 12.107 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.144 3.120 8.294 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.531 2.623 7.075 1.00 0.00 C ATOM 1046 C TYR A 67 -10.570 1.094 7.053 1.00 0.00 C ATOM 1047 O TYR A 67 -10.425 0.433 8.073 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.076 3.090 6.998 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.971 4.585 7.048 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -9.964 5.408 6.405 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -7.872 5.210 7.738 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -9.861 6.843 6.454 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -7.766 6.645 7.789 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.762 7.460 7.147 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.662 8.836 7.194 1.00 0.00 O ATOM 0 H TYR A 67 -10.593 3.009 9.145 1.00 0.00 H new ATOM 0 HA TYR A 67 -11.086 3.011 6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.511 2.657 7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.624 2.724 6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.789 4.946 5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.123 4.599 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.608 7.456 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.940 7.108 8.308 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.863 9.089 7.701 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.768 0.579 5.827 1.00 0.00 N ATOM 1066 CA PHE A 68 -10.765 -0.867 5.705 1.00 0.00 C ATOM 1067 C PHE A 68 -10.304 -1.257 4.299 1.00 0.00 C ATOM 1068 O PHE A 68 -9.779 -0.449 3.542 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.177 -1.399 5.955 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.142 -0.883 4.929 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.527 0.505 4.930 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -13.691 -1.770 3.936 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.451 1.004 3.946 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -14.615 -1.275 2.951 1.00 0.00 C ATOM 1075 CZ PHE A 68 -14.994 0.112 2.956 1.00 0.00 C ATOM 0 H PHE A 68 -10.921 1.108 4.968 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.083 -1.297 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.167 -2.489 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.509 -1.104 6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.120 1.175 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.407 -2.812 3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.736 2.046 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.024 -1.944 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.687 0.485 2.216 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.556 -2.545 4.000 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.254 -3.010 2.660 1.00 0.00 C ATOM 1087 C LEU A 69 -11.503 -3.655 2.053 1.00 0.00 C ATOM 1088 O LEU A 69 -11.879 -3.393 0.917 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.111 -4.029 2.679 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.785 -3.450 3.173 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.768 -3.347 4.693 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.613 -4.312 2.703 1.00 0.00 C ATOM 0 H LEU A 69 -10.946 -3.239 4.637 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.944 -2.156 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.392 -4.867 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.973 -4.426 1.674 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.683 -2.449 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.814 -2.932 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.578 -2.696 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.900 -4.338 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.678 -3.884 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.725 -5.323 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.600 -4.345 1.614 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.117 -4.507 2.895 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.316 -5.188 2.442 1.00 0.00 C ATOM 1106 C TRP A 70 -14.412 -5.092 3.509 1.00 0.00 C ATOM 1107 O TRP A 70 -15.577 -4.849 3.217 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.001 -6.658 2.161 1.00 0.00 C ATOM 1109 CG TRP A 70 -11.958 -6.757 1.073 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -11.851 -5.920 -0.044 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -10.893 -7.721 0.975 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.799 -6.300 -0.813 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.164 -7.401 -0.249 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -10.485 -8.808 1.785 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -9.044 -8.176 -0.633 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -9.344 -9.600 1.398 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -8.623 -9.285 0.188 1.00 0.00 C ATOM 0 H TRP A 70 -11.813 -4.725 3.844 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.668 -4.712 1.527 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.641 -7.142 3.069 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -13.907 -7.182 1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.510 -5.092 -0.262 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -10.515 -5.844 -1.680 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -11.026 -9.043 2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.506 -7.938 -1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.029 -10.429 2.014 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.769 -9.879 -0.103 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.959 -5.301 4.759 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.918 -5.296 5.846 1.00 0.00 C ATOM 1130 C VAL A 71 -14.311 -4.618 7.077 1.00 0.00 C ATOM 1131 O VAL A 71 -14.512 -3.437 7.333 1.00 0.00 O ATOM 1132 CB VAL A 71 -15.324 -6.733 6.177 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -16.225 -6.779 7.412 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -16.006 -7.393 4.978 1.00 0.00 C ATOM 0 H VAL A 71 -12.987 -5.466 5.020 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.804 -4.737 5.544 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.418 -7.295 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.499 -7.812 7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.693 -6.361 8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -17.127 -6.196 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -16.286 -8.414 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.899 -6.828 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.319 -7.408 4.132 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.574 -5.458 7.827 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.013 -4.970 9.071 1.00 0.00 C ATOM 1146 C VAL A 72 -12.245 -3.668 8.830 1.00 0.00 C ATOM 1147 O VAL A 72 -11.498 -3.524 7.870 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.102 -6.040 9.669 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -12.894 -7.320 9.939 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -10.916 -6.320 8.747 1.00 0.00 C ATOM 0 H VAL A 72 -13.367 -6.430 7.598 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.817 -4.759 9.776 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.710 -5.670 10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.232 -8.074 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.701 -7.107 10.640 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.314 -7.692 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.281 -7.085 9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.281 -6.669 7.781 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.339 -5.406 8.608 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.496 -2.735 9.766 1.00 0.00 N ATOM 1161 CA LYS A 73 -11.882 -1.429 9.638 1.00 0.00 C ATOM 1162 C LYS A 73 -10.724 -1.298 10.631 1.00 0.00 C ATOM 1163 O LYS A 73 -10.457 -2.184 11.433 1.00 0.00 O ATOM 1164 CB LYS A 73 -12.929 -0.348 9.901 1.00 0.00 C ATOM 1165 CG LYS A 73 -13.622 -0.531 11.253 1.00 0.00 C ATOM 1166 CD LYS A 73 -14.860 -1.428 11.169 1.00 0.00 C ATOM 1167 CE LYS A 73 -15.573 -1.537 12.516 1.00 0.00 C ATOM 1168 NZ LYS A 73 -16.762 -2.379 12.449 1.00 0.00 N ATOM 0 H LYS A 73 -13.095 -2.864 10.581 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.490 -1.309 8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.453 0.632 9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.675 -0.366 9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.915 -0.961 11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.912 0.445 11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.549 -1.029 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.567 -2.422 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.884 -1.944 13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.855 -0.541 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.210 -2.422 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.433 -1.979 11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.492 -3.338 12.150 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.052 -0.137 10.510 1.00 0.00 N ATOM 1183 CA PHE A 74 -8.860 0.047 11.318 1.00 0.00 C ATOM 1184 C PHE A 74 -8.740 1.526 11.696 1.00 0.00 C ATOM 1185 O PHE A 74 -8.983 2.418 10.893 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.594 -0.403 10.567 1.00 0.00 C ATOM 1187 CG PHE A 74 -7.747 -1.745 9.903 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.435 -2.952 10.624 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.222 -1.833 8.544 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -7.596 -4.237 9.997 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.385 -3.117 7.915 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.070 -4.318 8.641 1.00 0.00 C ATOM 0 H PHE A 74 -10.303 0.638 9.896 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.950 -0.567 12.214 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.342 0.342 9.813 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.759 -0.443 11.266 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.078 -2.892 11.642 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.456 -0.932 7.996 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.362 -5.139 10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.744 -3.179 6.898 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.189 -5.281 8.168 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.362 1.719 12.973 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.255 3.088 13.457 1.00 0.00 C ATOM 1204 C ASN A 75 -7.123 3.888 12.778 1.00 0.00 C ATOM 1205 O ASN A 75 -7.021 5.095 12.958 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.057 3.079 14.972 1.00 0.00 C ATOM 1207 CG ASN A 75 -6.753 2.360 15.324 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -5.818 2.294 14.536 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -6.764 1.823 16.557 1.00 0.00 N ATOM 0 H ASN A 75 -8.139 0.986 13.646 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.186 3.593 13.198 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.032 4.101 15.350 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.898 2.581 15.454 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.949 1.314 16.899 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.587 1.925 17.150 1.00 0.00 H new ATOM 1216 N SER A 76 -6.289 3.175 11.993 1.00 0.00 N ATOM 1217 CA SER A 76 -5.219 3.886 11.323 1.00 0.00 C ATOM 1218 C SER A 76 -4.587 2.977 10.268 1.00 0.00 C ATOM 1219 O SER A 76 -4.556 1.761 10.400 1.00 0.00 O ATOM 1220 CB SER A 76 -4.164 4.319 12.340 1.00 0.00 C ATOM 1221 OG SER A 76 -4.727 5.154 13.321 1.00 0.00 O ATOM 0 H SER A 76 -6.339 2.171 11.823 1.00 0.00 H new ATOM 0 HA SER A 76 -5.624 4.774 10.838 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.726 3.440 12.813 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.355 4.843 11.831 1.00 0.00 H new ATOM 0 HG SER A 76 -5.497 5.628 12.944 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.084 3.651 9.218 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.387 2.883 8.204 1.00 0.00 C ATOM 1229 C LEU A 77 -2.415 1.898 8.864 1.00 0.00 C ATOM 1230 O LEU A 77 -2.303 0.744 8.472 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.609 3.819 7.280 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.522 4.785 6.527 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.694 5.735 5.662 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.527 4.019 5.668 1.00 0.00 C ATOM 0 H LEU A 77 -4.145 4.657 9.064 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.123 2.328 7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.888 4.388 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.040 3.227 6.563 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.076 5.374 7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.359 6.417 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.017 6.308 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.115 5.159 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.168 4.726 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.993 3.403 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.139 3.381 6.306 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.729 2.433 9.892 1.00 0.00 N ATOM 1247 CA ASN A 78 -0.792 1.592 10.609 1.00 0.00 C ATOM 1248 C ASN A 78 -1.493 0.341 11.136 1.00 0.00 C ATOM 1249 O ASN A 78 -0.971 -0.766 11.074 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.230 2.360 11.798 1.00 0.00 C ATOM 1251 CG ASN A 78 0.832 1.519 12.509 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.546 0.729 11.903 1.00 0.00 O ATOM 1253 ND2 ASN A 78 0.875 1.739 13.835 1.00 0.00 N ATOM 0 H ASN A 78 -1.808 3.395 10.222 1.00 0.00 H new ATOM 0 HA ASN A 78 0.006 1.304 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.205 3.301 11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.032 2.610 12.492 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.540 1.228 14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.243 2.417 14.260 1.00 0.00 H new ATOM 1260 N GLU A 79 -2.702 0.593 11.672 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.432 -0.527 12.232 1.00 0.00 C ATOM 1262 C GLU A 79 -3.779 -1.550 11.138 1.00 0.00 C ATOM 1263 O GLU A 79 -3.769 -2.755 11.365 1.00 0.00 O ATOM 1264 CB GLU A 79 -4.699 -0.016 12.917 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.508 -1.150 13.545 1.00 0.00 C ATOM 1266 CD GLU A 79 -4.666 -1.861 14.607 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -3.941 -1.182 15.333 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -4.740 -3.086 14.693 1.00 0.00 O ATOM 0 H GLU A 79 -3.159 1.503 11.723 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.806 -1.029 12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.428 0.706 13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.317 0.511 12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.418 -0.754 13.995 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.815 -1.859 12.776 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.064 -1.000 9.942 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.264 -1.881 8.809 1.00 0.00 C ATOM 1277 C LEU A 80 -2.997 -2.716 8.618 1.00 0.00 C ATOM 1278 O LEU A 80 -3.027 -3.936 8.523 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.555 -1.033 7.569 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.016 -1.849 6.359 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.555 -0.911 5.275 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.894 -2.723 5.791 1.00 0.00 C ATOM 0 H LEU A 80 -4.154 -0.002 9.753 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.108 -2.551 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.322 -0.298 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.656 -0.478 7.300 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.809 -2.518 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.882 -1.497 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.399 -0.345 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.769 -0.222 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.268 -3.284 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.064 -2.090 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.551 -3.418 6.557 1.00 0.00 H new ATOM 1294 N VAL A 81 -1.885 -1.959 8.580 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.589 -2.607 8.465 1.00 0.00 C ATOM 1296 C VAL A 81 -0.252 -3.494 9.684 1.00 0.00 C ATOM 1297 O VAL A 81 0.663 -4.305 9.638 1.00 0.00 O ATOM 1298 CB VAL A 81 0.484 -1.530 8.324 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.872 -2.160 8.222 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.200 -0.637 7.116 1.00 0.00 C ATOM 0 H VAL A 81 -1.865 -0.940 8.626 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.622 -3.257 7.591 1.00 0.00 H new ATOM 0 HB VAL A 81 0.461 -0.906 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.621 -1.375 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.074 -2.742 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.912 -2.813 7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.977 0.123 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.189 -1.243 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.769 -0.154 7.241 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.027 -3.309 10.769 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.849 -4.203 11.900 1.00 0.00 C ATOM 1312 C ASP A 82 -1.659 -5.506 11.731 1.00 0.00 C ATOM 1313 O ASP A 82 -1.308 -6.544 12.281 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.280 -3.484 13.180 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.434 -2.224 13.376 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.645 -2.145 12.791 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.866 -1.335 14.107 1.00 0.00 O ATOM 0 H ASP A 82 -1.741 -2.588 10.876 1.00 0.00 H new ATOM 0 HA ASP A 82 0.205 -4.477 11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.336 -3.219 13.121 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.165 -4.147 14.037 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.755 -5.395 10.953 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.642 -6.536 10.830 1.00 0.00 C ATOM 1324 C TYR A 83 -3.015 -7.631 9.961 1.00 0.00 C ATOM 1325 O TYR A 83 -3.121 -8.814 10.256 1.00 0.00 O ATOM 1326 CB TYR A 83 -4.971 -6.085 10.226 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.949 -7.219 10.152 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.804 -7.515 11.272 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.039 -8.023 8.959 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.743 -8.603 11.203 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -6.977 -9.112 8.886 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.829 -9.400 10.009 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.730 -10.444 9.941 1.00 0.00 O ATOM 0 H TYR A 83 -3.027 -4.563 10.429 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.813 -6.951 11.823 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.391 -5.279 10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.801 -5.683 9.227 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.740 -6.917 12.169 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.399 -7.807 8.116 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.382 -8.821 12.046 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.041 -9.712 7.990 1.00 0.00 H new ATOM 0 HH TYR A 83 -8.835 -10.725 9.008 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.365 -7.170 8.875 1.00 0.00 N ATOM 1344 CA HIS A 84 -1.820 -8.175 7.975 1.00 0.00 C ATOM 1345 C HIS A 84 -1.089 -9.281 8.765 1.00 0.00 C ATOM 1346 O HIS A 84 -1.135 -10.455 8.419 1.00 0.00 O ATOM 1347 CB HIS A 84 -0.919 -7.529 6.908 1.00 0.00 C ATOM 1348 CG HIS A 84 0.446 -7.177 7.459 1.00 0.00 C ATOM 1349 ND1 HIS A 84 0.864 -5.920 7.709 1.00 0.00 N ATOM 1350 CD2 HIS A 84 1.487 -8.062 7.790 1.00 0.00 C ATOM 1351 CE1 HIS A 84 2.120 -6.035 8.178 1.00 0.00 C ATOM 1352 NE2 HIS A 84 2.522 -7.317 8.238 1.00 0.00 N ATOM 0 H HIS A 84 -2.217 -6.193 8.622 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.647 -8.651 7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -0.805 -8.213 6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.399 -6.629 6.525 1.00 0.00 H new ATOM 0 HD1 HIS A 84 0.336 -5.058 7.571 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.464 -9.138 7.702 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.733 -5.196 8.472 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.422 -8.816 9.840 1.00 0.00 N ATOM 1361 CA ARG A 85 0.301 -9.748 10.688 1.00 0.00 C ATOM 1362 C ARG A 85 -0.671 -10.581 11.540 1.00 0.00 C ATOM 1363 O ARG A 85 -0.410 -10.886 12.697 1.00 0.00 O ATOM 1364 CB ARG A 85 1.245 -8.953 11.591 1.00 0.00 C ATOM 1365 CG ARG A 85 2.243 -9.841 12.336 1.00 0.00 C ATOM 1366 CD ARG A 85 3.141 -9.018 13.261 1.00 0.00 C ATOM 1367 NE ARG A 85 4.162 -9.864 13.849 1.00 0.00 N ATOM 1368 CZ ARG A 85 3.814 -10.724 14.824 1.00 0.00 C ATOM 1369 NH1 ARG A 85 2.551 -10.789 15.240 1.00 0.00 N ATOM 1370 NH2 ARG A 85 4.733 -11.510 15.375 1.00 0.00 N ATOM 0 H ARG A 85 -0.376 -7.837 10.124 1.00 0.00 H new ATOM 0 HA ARG A 85 0.871 -10.437 10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.791 -8.227 10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.658 -8.388 12.315 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.703 -10.587 12.920 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.858 -10.382 11.617 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.608 -8.208 12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.542 -8.558 14.047 1.00 0.00 H new ATOM 0 HE ARG A 85 5.129 -9.808 13.529 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.844 -10.186 14.820 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.290 -11.442 15.979 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.702 -11.461 15.059 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.470 -12.162 16.114 1.00 0.00 H new ATOM 1384 N SER A 86 -1.804 -10.922 10.898 1.00 0.00 N ATOM 1385 CA SER A 86 -2.794 -11.707 11.608 1.00 0.00 C ATOM 1386 C SER A 86 -3.340 -12.816 10.699 1.00 0.00 C ATOM 1387 O SER A 86 -3.532 -13.950 11.119 1.00 0.00 O ATOM 1388 CB SER A 86 -3.933 -10.800 12.072 1.00 0.00 C ATOM 1389 OG SER A 86 -4.894 -11.537 12.786 1.00 0.00 O ATOM 0 H SER A 86 -2.038 -10.675 9.936 1.00 0.00 H new ATOM 0 HA SER A 86 -2.327 -12.168 12.478 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.537 -10.003 12.701 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.399 -10.323 11.210 1.00 0.00 H new ATOM 0 HG SER A 86 -5.615 -10.940 13.076 1.00 0.00 H new ATOM 1395 N THR A 87 -3.571 -12.415 9.436 1.00 0.00 N ATOM 1396 CA THR A 87 -4.099 -13.390 8.501 1.00 0.00 C ATOM 1397 C THR A 87 -3.958 -12.873 7.066 1.00 0.00 C ATOM 1398 O THR A 87 -4.922 -12.790 6.314 1.00 0.00 O ATOM 1399 CB THR A 87 -5.568 -13.665 8.822 1.00 0.00 C ATOM 1400 OG1 THR A 87 -6.062 -14.649 7.949 1.00 0.00 O ATOM 1401 CG2 THR A 87 -6.423 -12.403 8.705 1.00 0.00 C ATOM 0 H THR A 87 -3.409 -11.478 9.067 1.00 0.00 H new ATOM 0 HA THR A 87 -3.534 -14.318 8.593 1.00 0.00 H new ATOM 0 HB THR A 87 -5.625 -14.012 9.854 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.935 -14.357 7.022 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.460 -12.643 8.941 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.057 -11.649 9.402 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.363 -12.016 7.688 1.00 0.00 H new ATOM 1409 N SER A 88 -2.695 -12.543 6.742 1.00 0.00 N ATOM 1410 CA SER A 88 -2.432 -12.102 5.385 1.00 0.00 C ATOM 1411 C SER A 88 -3.415 -11.000 4.991 1.00 0.00 C ATOM 1412 O SER A 88 -4.273 -10.593 5.765 1.00 0.00 O ATOM 1413 CB SER A 88 -2.582 -13.287 4.429 1.00 0.00 C ATOM 1414 OG SER A 88 -3.865 -13.848 4.534 1.00 0.00 O ATOM 0 H SER A 88 -1.891 -12.573 7.369 1.00 0.00 H new ATOM 0 HA SER A 88 -1.417 -11.709 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.405 -12.959 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.829 -14.042 4.656 1.00 0.00 H new ATOM 0 HG SER A 88 -4.486 -13.180 4.893 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.239 -10.559 3.731 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.183 -9.577 3.221 1.00 0.00 C ATOM 1422 C VAL A 89 -4.753 -10.024 1.863 1.00 0.00 C ATOM 1423 O VAL A 89 -4.988 -9.221 0.970 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.502 -8.208 3.115 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.374 -8.222 2.082 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -4.514 -7.105 2.804 1.00 0.00 C ATOM 0 H VAL A 89 -2.499 -10.850 3.092 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.019 -9.493 3.916 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.059 -7.991 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.913 -7.235 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.624 -8.959 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.779 -8.482 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.999 -6.147 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.007 -7.320 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.259 -7.060 3.598 1.00 0.00 H new ATOM 1436 N SER A 90 -4.963 -11.353 1.772 1.00 0.00 N ATOM 1437 CA SER A 90 -5.507 -11.902 0.549 1.00 0.00 C ATOM 1438 C SER A 90 -5.652 -13.419 0.690 1.00 0.00 C ATOM 1439 O SER A 90 -4.692 -14.137 0.943 1.00 0.00 O ATOM 1440 CB SER A 90 -4.559 -11.580 -0.600 1.00 0.00 C ATOM 1441 OG SER A 90 -3.352 -12.283 -0.450 1.00 0.00 O ATOM 0 H SER A 90 -4.768 -12.030 2.509 1.00 0.00 H new ATOM 0 HA SER A 90 -6.487 -11.468 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.025 -11.843 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.362 -10.508 -0.628 1.00 0.00 H new ATOM 0 HG SER A 90 -3.408 -12.866 0.336 1.00 0.00 H new ATOM 1502 N GLN A 94 -1.911 -15.892 1.010 1.00 0.00 N ATOM 1503 CA GLN A 94 -1.228 -15.284 2.136 1.00 0.00 C ATOM 1504 C GLN A 94 -0.234 -14.225 1.645 1.00 0.00 C ATOM 1505 O GLN A 94 0.480 -14.411 0.668 1.00 0.00 O ATOM 1506 CB GLN A 94 -0.497 -16.365 2.930 1.00 0.00 C ATOM 1507 CG GLN A 94 -1.454 -17.442 3.440 1.00 0.00 C ATOM 1508 CD GLN A 94 -0.677 -18.500 4.227 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.393 -18.248 4.767 1.00 0.00 O ATOM 1510 NE2 GLN A 94 -1.288 -19.698 4.243 1.00 0.00 N ATOM 0 HA GLN A 94 -1.960 -14.797 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.265 -16.825 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.019 -15.909 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.217 -16.992 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.972 -17.908 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.181 -19.821 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.858 -20.483 4.732 1.00 0.00 H new ATOM 1519 N ILE A 95 -0.250 -13.106 2.393 1.00 0.00 N ATOM 1520 CA ILE A 95 0.631 -12.013 2.027 1.00 0.00 C ATOM 1521 C ILE A 95 1.032 -11.226 3.277 1.00 0.00 C ATOM 1522 O ILE A 95 0.236 -10.993 4.178 1.00 0.00 O ATOM 1523 CB ILE A 95 -0.084 -11.090 1.044 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.634 -11.887 -0.136 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.854 -9.980 0.567 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -1.324 -10.985 -1.159 1.00 0.00 C ATOM 0 H ILE A 95 -0.837 -12.949 3.213 1.00 0.00 H new ATOM 0 HA ILE A 95 1.529 -12.416 1.558 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.924 -10.623 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.179 -12.429 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.342 -12.632 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.325 -9.333 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.188 -9.393 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.718 -10.422 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.701 -11.591 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.154 -10.463 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.609 -10.257 -1.542 1.00 0.00 H new ATOM 1538 N PHE A 96 2.319 -10.836 3.265 1.00 0.00 N ATOM 1539 CA PHE A 96 2.808 -10.057 4.387 1.00 0.00 C ATOM 1540 C PHE A 96 3.282 -8.687 3.894 1.00 0.00 C ATOM 1541 O PHE A 96 3.999 -8.569 2.909 1.00 0.00 O ATOM 1542 CB PHE A 96 3.954 -10.802 5.073 1.00 0.00 C ATOM 1543 CG PHE A 96 3.506 -12.141 5.577 1.00 0.00 C ATOM 1544 CD1 PHE A 96 2.965 -12.272 6.906 1.00 0.00 C ATOM 1545 CD2 PHE A 96 3.610 -13.307 4.736 1.00 0.00 C ATOM 1546 CE1 PHE A 96 2.533 -13.556 7.392 1.00 0.00 C ATOM 1547 CE2 PHE A 96 3.179 -14.592 5.219 1.00 0.00 C ATOM 1548 CZ PHE A 96 2.641 -14.715 6.547 1.00 0.00 C ATOM 0 H PHE A 96 2.997 -11.039 2.530 1.00 0.00 H new ATOM 0 HA PHE A 96 2.003 -9.913 5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.778 -10.932 4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.333 -10.206 5.903 1.00 0.00 H new ATOM 0 HD1 PHE A 96 2.883 -11.402 7.541 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.013 -13.216 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 96 2.129 -13.649 8.389 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.259 -15.463 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.318 -15.679 6.910 1.00 0.00 H new ATOM 1558 N LEU A 97 2.825 -7.668 4.643 1.00 0.00 N ATOM 1559 CA LEU A 97 3.207 -6.318 4.270 1.00 0.00 C ATOM 1560 C LEU A 97 4.508 -5.941 4.983 1.00 0.00 C ATOM 1561 O LEU A 97 4.522 -5.614 6.163 1.00 0.00 O ATOM 1562 CB LEU A 97 2.097 -5.348 4.676 1.00 0.00 C ATOM 1563 CG LEU A 97 0.729 -5.785 4.150 1.00 0.00 C ATOM 1564 CD1 LEU A 97 -0.385 -4.958 4.796 1.00 0.00 C ATOM 1565 CD2 LEU A 97 0.671 -5.678 2.626 1.00 0.00 C ATOM 0 H LEU A 97 2.225 -7.754 5.463 1.00 0.00 H new ATOM 0 HA LEU A 97 3.359 -6.264 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.060 -5.275 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.329 -4.353 4.297 1.00 0.00 H new ATOM 0 HG LEU A 97 0.579 -6.830 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.351 -5.283 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.361 -5.097 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.237 -3.904 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.312 -5.994 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.847 -4.645 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.436 -6.319 2.187 1.00 0.00 H new ATOM 1577 N ARG A 98 5.595 -6.014 4.192 1.00 0.00 N ATOM 1578 CA ARG A 98 6.890 -5.758 4.795 1.00 0.00 C ATOM 1579 C ARG A 98 7.849 -5.164 3.755 1.00 0.00 C ATOM 1580 O ARG A 98 7.451 -4.648 2.718 1.00 0.00 O ATOM 1581 CB ARG A 98 7.462 -7.073 5.334 1.00 0.00 C ATOM 1582 CG ARG A 98 6.573 -7.704 6.406 1.00 0.00 C ATOM 1583 CD ARG A 98 6.557 -6.878 7.692 1.00 0.00 C ATOM 1584 NE ARG A 98 5.697 -7.508 8.678 1.00 0.00 N ATOM 1585 CZ ARG A 98 5.878 -7.212 9.978 1.00 0.00 C ATOM 1586 NH1 ARG A 98 6.825 -6.354 10.347 1.00 0.00 N ATOM 1587 NH2 ARG A 98 5.104 -7.780 10.899 1.00 0.00 N ATOM 0 H ARG A 98 5.597 -6.235 3.196 1.00 0.00 H new ATOM 0 HA ARG A 98 6.773 -5.045 5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.586 -7.776 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.453 -6.891 5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.557 -7.801 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.928 -8.711 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.569 -6.785 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.203 -5.869 7.481 1.00 0.00 H new ATOM 0 HE ARG A 98 4.969 -8.163 8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.419 -5.916 9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.957 -6.134 11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.376 -8.437 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.238 -7.558 11.885 1.00 0.00 H new ATOM 1601 N ASP A 99 9.139 -5.310 4.113 1.00 0.00 N ATOM 1602 CA ASP A 99 10.206 -4.993 3.183 1.00 0.00 C ATOM 1603 C ASP A 99 9.987 -3.612 2.536 1.00 0.00 C ATOM 1604 O ASP A 99 9.941 -2.591 3.212 1.00 0.00 O ATOM 1605 CB ASP A 99 10.329 -6.130 2.162 1.00 0.00 C ATOM 1606 CG ASP A 99 11.530 -5.886 1.246 1.00 0.00 C ATOM 1607 OD1 ASP A 99 12.324 -4.996 1.545 1.00 0.00 O ATOM 1608 OD2 ASP A 99 11.655 -6.586 0.242 1.00 0.00 O ATOM 0 H ASP A 99 9.450 -5.640 5.026 1.00 0.00 H new ATOM 0 HA ASP A 99 11.156 -4.917 3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.444 -7.083 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.417 -6.197 1.569 1.00 0.00 H new ATOM 1613 N ILE A 100 9.891 -3.649 1.192 1.00 0.00 N ATOM 1614 CA ILE A 100 9.808 -2.442 0.387 1.00 0.00 C ATOM 1615 C ILE A 100 10.734 -1.315 0.879 1.00 0.00 C ATOM 1616 O ILE A 100 10.506 -0.146 0.596 1.00 0.00 O ATOM 1617 CB ILE A 100 8.367 -1.945 0.324 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.181 -1.076 -0.917 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.008 -1.180 1.595 1.00 0.00 C ATOM 1620 CD1 ILE A 100 6.801 -0.434 -0.974 1.00 0.00 C ATOM 0 H ILE A 100 9.870 -4.513 0.651 1.00 0.00 H new ATOM 0 HA ILE A 100 10.151 -2.715 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 100 7.693 -2.799 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.942 -0.296 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.333 -1.684 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.977 -0.833 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.118 -1.837 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.673 -0.323 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.719 0.174 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.038 -1.212 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.657 0.197 -0.097 1.00 0.00 H new ATOM 1632 N GLU A 101 11.783 -1.721 1.620 1.00 0.00 N ATOM 1633 CA GLU A 101 12.664 -0.717 2.162 1.00 0.00 C ATOM 1634 C GLU A 101 14.100 -1.245 2.198 1.00 0.00 C ATOM 1635 O GLU A 101 14.523 -1.882 3.155 1.00 0.00 O ATOM 1636 CB GLU A 101 12.184 -0.393 3.571 1.00 0.00 C ATOM 1637 CG GLU A 101 12.954 0.787 4.138 1.00 0.00 C ATOM 1638 CD GLU A 101 14.398 0.390 4.454 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.594 -0.583 5.180 1.00 0.00 O ATOM 1640 OE2 GLU A 101 15.309 1.059 3.969 1.00 0.00 O ATOM 0 H GLU A 101 12.019 -2.689 1.839 1.00 0.00 H new ATOM 0 HA GLU A 101 12.651 0.180 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.118 -0.165 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.314 -1.263 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.946 1.610 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.464 1.146 5.043 1.00 0.00 H new