USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 39 GLN :FLIP amide:sc= -1.26 F(o=-4.9!,f=-0.58) USER MOD Set 1.2: A 59 TYR OH : rot -82:sc= 0.685 USER MOD Single : A 14 SER OG : rot 180:sc= -1.22 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.857 USER MOD Single : A 35 ASN : amide:sc= -2.22 K(o=-2.2,f=-4!) USER MOD Single : A 36 THR OG1 : rot -120:sc= -1.2 USER MOD Single : A 41 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.42) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.41 F(o=-2.5!,f=-1.4) USER MOD Single : A 47 CYS SG : rot -104:sc= 1.22 USER MOD Single : A 48 SER OG : rot 124:sc=0.000352 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 0:sc= 0.688 USER MOD Single : A 64 GLN : amide:sc=-0.00436 X(o=-0.0044,f=-0.07) USER MOD Single : A 68 CYS SG : rot -140:sc= -2.42! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0804 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 166:sc= 0 (180deg=-0.126) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -117:sc= -3.28! (180deg=-5.35!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -0.648 15.249 -12.377 1.00 0.00 N ATOM 121 CA ARG A 12 -1.174 14.396 -13.430 1.00 0.00 C ATOM 122 C ARG A 12 -1.040 12.924 -13.036 1.00 0.00 C ATOM 123 O ARG A 12 0.036 12.478 -12.641 1.00 0.00 O ATOM 124 CB ARG A 12 -0.438 14.633 -14.750 1.00 0.00 C ATOM 125 CG ARG A 12 -1.369 15.254 -15.793 1.00 0.00 C ATOM 126 CD ARG A 12 -1.186 14.587 -17.158 1.00 0.00 C ATOM 127 NE ARG A 12 -2.426 13.876 -17.544 1.00 0.00 N ATOM 128 CZ ARG A 12 -3.500 14.474 -18.077 1.00 0.00 C ATOM 129 NH1 ARG A 12 -3.493 15.797 -18.291 1.00 0.00 N ATOM 130 NH2 ARG A 12 -4.581 13.750 -18.397 1.00 0.00 N ATOM 0 HA ARG A 12 -2.226 14.645 -13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.415 15.290 -14.582 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.044 13.689 -15.125 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.405 15.150 -15.469 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.167 16.322 -15.876 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.939 15.338 -17.909 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.352 13.886 -17.121 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.465 12.868 -17.395 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.670 16.349 -18.048 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.311 16.252 -18.697 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.587 12.743 -18.235 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.398 14.206 -18.803 1.00 0.00 H new ATOM 144 N TRP A 13 -2.149 12.209 -13.158 1.00 0.00 N ATOM 145 CA TRP A 13 -2.169 10.796 -12.819 1.00 0.00 C ATOM 146 C TRP A 13 -2.539 10.013 -14.081 1.00 0.00 C ATOM 147 O TRP A 13 -3.186 10.547 -14.980 1.00 0.00 O ATOM 148 CB TRP A 13 -3.117 10.525 -11.649 1.00 0.00 C ATOM 149 CG TRP A 13 -2.653 11.127 -10.321 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.646 12.416 -9.957 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.124 10.405 -9.188 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.154 12.578 -8.677 1.00 0.00 N ATOM 153 CE2 TRP A 13 -1.827 11.316 -8.195 1.00 0.00 C ATOM 154 CE3 TRP A 13 -1.905 9.028 -9.009 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.293 10.950 -6.954 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.372 8.678 -7.762 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.067 9.583 -6.752 1.00 0.00 C ATOM 0 H TRP A 13 -3.040 12.582 -13.487 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.187 10.467 -12.479 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.102 10.924 -11.893 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.230 9.448 -11.528 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.983 13.227 -10.586 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.050 13.461 -8.177 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.130 8.298 -9.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.067 11.683 -6.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.185 7.631 -7.572 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.658 9.233 -5.816 1.00 0.00 H new ATOM 168 N SER A 14 -2.113 8.759 -14.107 1.00 0.00 N ATOM 169 CA SER A 14 -2.391 7.897 -15.243 1.00 0.00 C ATOM 170 C SER A 14 -3.732 7.187 -15.045 1.00 0.00 C ATOM 171 O SER A 14 -4.396 7.380 -14.028 1.00 0.00 O ATOM 172 CB SER A 14 -1.273 6.872 -15.444 1.00 0.00 C ATOM 173 OG SER A 14 -0.731 6.925 -16.761 1.00 0.00 O ATOM 0 H SER A 14 -1.577 8.319 -13.359 1.00 0.00 H new ATOM 0 HA SER A 14 -2.443 8.517 -16.138 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.480 7.053 -14.718 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.660 5.871 -15.251 1.00 0.00 H new ATOM 0 HG SER A 14 -0.019 6.257 -16.849 1.00 0.00 H new ATOM 179 N PRO A 15 -4.099 6.359 -16.060 1.00 0.00 N ATOM 180 CA PRO A 15 -5.349 5.620 -16.008 1.00 0.00 C ATOM 181 C PRO A 15 -5.248 4.441 -15.037 1.00 0.00 C ATOM 182 O PRO A 15 -4.178 3.859 -14.871 1.00 0.00 O ATOM 183 CB PRO A 15 -5.611 5.188 -17.441 1.00 0.00 C ATOM 184 CG PRO A 15 -4.276 5.298 -18.160 1.00 0.00 C ATOM 185 CD PRO A 15 -3.337 6.107 -17.280 1.00 0.00 C ATOM 0 HA PRO A 15 -6.177 6.220 -15.630 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.992 4.167 -17.478 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.361 5.825 -17.910 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.862 4.308 -18.350 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.403 5.782 -19.128 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.420 5.557 -17.068 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.045 7.039 -17.764 1.00 0.00 H new ATOM 193 N PRO A 16 -6.408 4.117 -14.405 1.00 0.00 N ATOM 194 CA PRO A 16 -6.460 3.019 -13.455 1.00 0.00 C ATOM 195 C PRO A 16 -6.435 1.669 -14.176 1.00 0.00 C ATOM 196 O PRO A 16 -7.214 1.440 -15.100 1.00 0.00 O ATOM 197 CB PRO A 16 -7.737 3.245 -12.662 1.00 0.00 C ATOM 198 CG PRO A 16 -8.585 4.189 -13.499 1.00 0.00 C ATOM 199 CD PRO A 16 -7.695 4.785 -14.577 1.00 0.00 C ATOM 0 HA PRO A 16 -5.595 2.994 -12.793 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.259 2.304 -12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.519 3.677 -11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.422 3.654 -13.948 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.008 4.976 -12.875 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.104 4.607 -15.572 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.600 5.865 -14.460 1.00 0.00 H new ATOM 207 N ARG A 17 -5.532 0.811 -13.725 1.00 0.00 N ATOM 208 CA ARG A 17 -5.395 -0.510 -14.315 1.00 0.00 C ATOM 209 C ARG A 17 -6.395 -1.480 -13.683 1.00 0.00 C ATOM 210 O ARG A 17 -6.881 -1.244 -12.578 1.00 0.00 O ATOM 211 CB ARG A 17 -3.978 -1.054 -14.125 1.00 0.00 C ATOM 212 CG ARG A 17 -3.626 -1.161 -12.640 1.00 0.00 C ATOM 213 CD ARG A 17 -2.301 -1.900 -12.442 1.00 0.00 C ATOM 214 NE ARG A 17 -1.167 -0.976 -12.668 1.00 0.00 N ATOM 215 CZ ARG A 17 0.103 -1.371 -12.829 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.409 -2.675 -12.791 1.00 0.00 N ATOM 217 NH2 ARG A 17 1.067 -0.461 -13.029 1.00 0.00 N ATOM 0 H ARG A 17 -4.888 1.005 -12.958 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.597 -0.419 -15.382 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.895 -2.035 -14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.264 -0.400 -14.626 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.558 -0.163 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.422 -1.686 -12.111 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.251 -2.310 -11.433 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.238 -2.742 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.365 0.024 -12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.325 -3.367 -12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.376 -2.976 -12.914 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.833 0.531 -13.058 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.034 -0.761 -13.152 1.00 0.00 H new ATOM 231 N GLY A 18 -6.673 -2.551 -14.411 1.00 0.00 N ATOM 232 CA GLY A 18 -7.607 -3.558 -13.936 1.00 0.00 C ATOM 233 C GLY A 18 -6.866 -4.801 -13.439 1.00 0.00 C ATOM 234 O GLY A 18 -6.364 -5.590 -14.238 1.00 0.00 O ATOM 0 H GLY A 18 -6.268 -2.744 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.214 -3.145 -13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.290 -3.834 -14.740 1.00 0.00 H new ATOM 238 N ILE A 19 -6.822 -4.937 -12.121 1.00 0.00 N ATOM 239 CA ILE A 19 -6.151 -6.071 -11.508 1.00 0.00 C ATOM 240 C ILE A 19 -7.192 -7.118 -11.106 1.00 0.00 C ATOM 241 O ILE A 19 -8.326 -6.775 -10.774 1.00 0.00 O ATOM 242 CB ILE A 19 -5.266 -5.608 -10.350 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.515 -4.325 -10.713 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.316 -6.722 -9.906 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.468 -3.983 -9.650 1.00 0.00 C ATOM 0 H ILE A 19 -7.240 -4.281 -11.461 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.479 -6.547 -12.222 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.909 -5.376 -9.501 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.029 -4.445 -11.681 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.222 -3.501 -10.811 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.698 -6.366 -9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.895 -7.585 -9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.677 -7.009 -10.741 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.949 -3.067 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.960 -3.840 -8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.749 -4.798 -9.572 1.00 0.00 H new ATOM 257 N HIS A 20 -6.770 -8.373 -11.150 1.00 0.00 N ATOM 258 CA HIS A 20 -7.652 -9.472 -10.794 1.00 0.00 C ATOM 259 C HIS A 20 -6.869 -10.523 -10.005 1.00 0.00 C ATOM 260 O HIS A 20 -6.005 -11.203 -10.557 1.00 0.00 O ATOM 261 CB HIS A 20 -8.330 -10.049 -12.038 1.00 0.00 C ATOM 262 CG HIS A 20 -7.472 -10.008 -13.280 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.592 -9.021 -14.243 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.480 -10.843 -13.705 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.708 -9.261 -15.200 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.020 -10.391 -14.866 1.00 0.00 N ATOM 0 H HIS A 20 -5.829 -8.654 -11.427 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.453 -9.107 -10.151 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.613 -11.082 -11.838 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.251 -9.497 -12.226 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.129 -11.722 -13.185 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.558 -8.666 -16.089 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.275 -10.818 -15.417 1.00 0.00 H new ATOM 274 N PHE A 21 -7.199 -10.623 -8.725 1.00 0.00 N ATOM 275 CA PHE A 21 -6.538 -11.579 -7.854 1.00 0.00 C ATOM 276 C PHE A 21 -7.414 -11.919 -6.647 1.00 0.00 C ATOM 277 O PHE A 21 -8.502 -11.366 -6.490 1.00 0.00 O ATOM 278 CB PHE A 21 -5.247 -10.920 -7.363 1.00 0.00 C ATOM 279 CG PHE A 21 -5.469 -9.797 -6.349 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.732 -8.534 -6.779 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.404 -10.061 -5.016 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.939 -7.491 -5.837 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.610 -9.019 -4.074 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.873 -7.756 -4.505 1.00 0.00 C ATOM 0 H PHE A 21 -7.916 -10.057 -8.271 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.342 -12.503 -8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.611 -11.682 -6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.706 -10.520 -8.221 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.784 -8.324 -7.837 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.196 -11.064 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.149 -6.488 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.558 -9.229 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.030 -6.963 -3.789 1.00 0.00 H new ATOM 294 N THR A 22 -6.908 -12.826 -5.825 1.00 0.00 N ATOM 295 CA THR A 22 -7.631 -13.245 -4.636 1.00 0.00 C ATOM 296 C THR A 22 -6.865 -12.841 -3.375 1.00 0.00 C ATOM 297 O THR A 22 -5.711 -13.227 -3.195 1.00 0.00 O ATOM 298 CB THR A 22 -7.878 -14.752 -4.740 1.00 0.00 C ATOM 299 OG1 THR A 22 -9.077 -14.855 -5.503 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.237 -15.381 -3.393 1.00 0.00 C ATOM 0 H THR A 22 -6.006 -13.283 -5.959 1.00 0.00 H new ATOM 0 HA THR A 22 -8.597 -12.746 -4.565 1.00 0.00 H new ATOM 0 HB THR A 22 -6.989 -15.239 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.310 -15.800 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.402 -16.451 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.420 -15.223 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.145 -14.918 -3.006 1.00 0.00 H new ATOM 308 N VAL A 23 -7.538 -12.068 -2.535 1.00 0.00 N ATOM 309 CA VAL A 23 -6.935 -11.607 -1.296 1.00 0.00 C ATOM 310 C VAL A 23 -6.483 -12.815 -0.473 1.00 0.00 C ATOM 311 O VAL A 23 -6.881 -13.945 -0.753 1.00 0.00 O ATOM 312 CB VAL A 23 -7.913 -10.703 -0.543 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.453 -10.479 0.899 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.100 -9.371 -1.272 1.00 0.00 C ATOM 0 H VAL A 23 -8.495 -11.749 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.050 -11.005 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.879 -11.207 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.166 -9.833 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.395 -11.437 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.471 -10.007 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.800 -8.747 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.140 -8.860 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.494 -9.555 -2.272 1.00 0.00 H new ATOM 324 N GLU A 24 -5.658 -12.536 0.525 1.00 0.00 N ATOM 325 CA GLU A 24 -5.148 -13.586 1.390 1.00 0.00 C ATOM 326 C GLU A 24 -5.315 -13.191 2.859 1.00 0.00 C ATOM 327 O GLU A 24 -4.394 -12.647 3.468 1.00 0.00 O ATOM 328 CB GLU A 24 -3.685 -13.899 1.069 1.00 0.00 C ATOM 329 CG GLU A 24 -3.568 -14.699 -0.229 1.00 0.00 C ATOM 330 CD GLU A 24 -2.193 -15.361 -0.343 1.00 0.00 C ATOM 331 OE1 GLU A 24 -1.956 -16.313 0.431 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.410 -14.899 -1.201 1.00 0.00 O ATOM 0 H GLU A 24 -5.330 -11.598 0.754 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.727 -14.492 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.122 -12.970 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.242 -14.463 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.346 -15.461 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.730 -14.040 -1.082 1.00 0.00 H new ATOM 339 N GLU A 25 -6.496 -13.480 3.386 1.00 0.00 N ATOM 340 CA GLU A 25 -6.795 -13.161 4.772 1.00 0.00 C ATOM 341 C GLU A 25 -5.983 -14.057 5.709 1.00 0.00 C ATOM 342 O GLU A 25 -6.549 -14.773 6.534 1.00 0.00 O ATOM 343 CB GLU A 25 -8.293 -13.289 5.053 1.00 0.00 C ATOM 344 CG GLU A 25 -8.792 -14.700 4.737 1.00 0.00 C ATOM 345 CD GLU A 25 -10.268 -14.856 5.109 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.990 -13.842 5.003 1.00 0.00 O ATOM 347 OE2 GLU A 25 -10.640 -15.987 5.492 1.00 0.00 O ATOM 0 H GLU A 25 -7.257 -13.931 2.878 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.512 -12.125 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.492 -13.055 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.842 -12.563 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.657 -14.908 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.196 -15.431 5.284 1.00 0.00 H new ATOM 354 N GLY A 26 -4.669 -13.989 5.551 1.00 0.00 N ATOM 355 CA GLY A 26 -3.774 -14.785 6.373 1.00 0.00 C ATOM 356 C GLY A 26 -2.317 -14.372 6.156 1.00 0.00 C ATOM 357 O GLY A 26 -1.536 -14.316 7.104 1.00 0.00 O ATOM 0 H GLY A 26 -4.203 -13.395 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.037 -14.665 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.896 -15.841 6.132 1.00 0.00 H new ATOM 361 N ASP A 27 -1.995 -14.095 4.901 1.00 0.00 N ATOM 362 CA ASP A 27 -0.646 -13.689 4.546 1.00 0.00 C ATOM 363 C ASP A 27 -0.679 -12.928 3.219 1.00 0.00 C ATOM 364 O ASP A 27 -0.758 -13.537 2.153 1.00 0.00 O ATOM 365 CB ASP A 27 0.267 -14.904 4.372 1.00 0.00 C ATOM 366 CG ASP A 27 1.760 -14.623 4.558 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.140 -14.313 5.708 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.487 -14.725 3.547 1.00 0.00 O ATOM 0 H ASP A 27 -2.646 -14.144 4.117 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.261 -13.061 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.035 -15.671 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.112 -15.317 3.375 1.00 0.00 H new ATOM 373 N LEU A 28 -0.616 -11.610 3.327 1.00 0.00 N ATOM 374 CA LEU A 28 -0.637 -10.760 2.149 1.00 0.00 C ATOM 375 C LEU A 28 0.783 -10.630 1.593 1.00 0.00 C ATOM 376 O LEU A 28 1.753 -10.647 2.349 1.00 0.00 O ATOM 377 CB LEU A 28 -1.297 -9.417 2.468 1.00 0.00 C ATOM 378 CG LEU A 28 -2.804 -9.457 2.732 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.343 -8.059 3.045 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.548 -10.111 1.566 1.00 0.00 C ATOM 0 H LEU A 28 -0.550 -11.109 4.213 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.247 -11.211 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.806 -8.992 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.112 -8.737 1.637 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.980 -10.075 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.416 -8.115 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.843 -7.666 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.154 -7.398 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.617 -10.127 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.368 -9.541 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.190 -11.132 1.433 1.00 0.00 H new ATOM 392 N GLY A 29 0.859 -10.504 0.276 1.00 0.00 N ATOM 393 CA GLY A 29 2.144 -10.371 -0.389 1.00 0.00 C ATOM 394 C GLY A 29 2.511 -8.899 -0.585 1.00 0.00 C ATOM 395 O GLY A 29 3.299 -8.564 -1.468 1.00 0.00 O ATOM 0 H GLY A 29 0.052 -10.491 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.915 -10.866 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.111 -10.873 -1.356 1.00 0.00 H new ATOM 399 N PHE A 30 1.922 -8.059 0.254 1.00 0.00 N ATOM 400 CA PHE A 30 2.177 -6.630 0.184 1.00 0.00 C ATOM 401 C PHE A 30 1.556 -5.904 1.379 1.00 0.00 C ATOM 402 O PHE A 30 0.881 -6.520 2.202 1.00 0.00 O ATOM 403 CB PHE A 30 1.523 -6.121 -1.102 1.00 0.00 C ATOM 404 CG PHE A 30 -0.006 -6.162 -1.081 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.660 -7.316 -1.381 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.712 -5.043 -0.764 1.00 0.00 C ATOM 407 CE1 PHE A 30 -2.079 -7.354 -1.361 1.00 0.00 C ATOM 408 CE2 PHE A 30 -2.131 -5.081 -0.745 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.785 -6.235 -1.044 1.00 0.00 C ATOM 0 H PHE A 30 1.269 -8.341 0.985 1.00 0.00 H new ATOM 0 HA PHE A 30 3.251 -6.443 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.846 -5.095 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.881 -6.719 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.100 -8.204 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.193 -4.126 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.598 -8.271 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.691 -4.193 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.865 -6.263 -1.030 1.00 0.00 H new ATOM 419 N THR A 31 1.807 -4.604 1.436 1.00 0.00 N ATOM 420 CA THR A 31 1.282 -3.787 2.517 1.00 0.00 C ATOM 421 C THR A 31 0.883 -2.405 1.996 1.00 0.00 C ATOM 422 O THR A 31 1.083 -2.100 0.821 1.00 0.00 O ATOM 423 CB THR A 31 2.334 -3.738 3.627 1.00 0.00 C ATOM 424 OG1 THR A 31 2.227 -2.415 4.147 1.00 0.00 O ATOM 425 CG2 THR A 31 3.762 -3.810 3.083 1.00 0.00 C ATOM 0 H THR A 31 2.367 -4.096 0.751 1.00 0.00 H new ATOM 0 HA THR A 31 0.371 -4.218 2.932 1.00 0.00 H new ATOM 0 HB THR A 31 2.168 -4.561 4.322 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.873 -2.296 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.469 -3.771 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.896 -4.742 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.940 -2.967 2.415 1.00 0.00 H new ATOM 433 N LEU A 32 0.327 -1.607 2.895 1.00 0.00 N ATOM 434 CA LEU A 32 -0.102 -0.264 2.540 1.00 0.00 C ATOM 435 C LEU A 32 0.566 0.744 3.477 1.00 0.00 C ATOM 436 O LEU A 32 0.447 0.637 4.696 1.00 0.00 O ATOM 437 CB LEU A 32 -1.629 -0.175 2.529 1.00 0.00 C ATOM 438 CG LEU A 32 -2.356 -1.219 1.678 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.869 -1.143 1.892 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.978 -1.082 0.201 1.00 0.00 C ATOM 0 H LEU A 32 0.163 -1.864 3.868 1.00 0.00 H new ATOM 0 HA LEU A 32 0.216 -0.018 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.985 -0.260 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.913 0.816 2.174 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.034 -2.209 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.362 -1.895 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.098 -1.327 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.227 -0.153 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.508 -1.835 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.253 -0.089 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.903 -1.224 0.086 1.00 0.00 H new ATOM 452 N ARG A 33 1.255 1.700 2.871 1.00 0.00 N ATOM 453 CA ARG A 33 1.942 2.727 3.636 1.00 0.00 C ATOM 454 C ARG A 33 1.570 4.116 3.114 1.00 0.00 C ATOM 455 O ARG A 33 1.041 4.247 2.011 1.00 0.00 O ATOM 456 CB ARG A 33 3.460 2.549 3.557 1.00 0.00 C ATOM 457 CG ARG A 33 3.946 2.620 2.108 1.00 0.00 C ATOM 458 CD ARG A 33 5.116 3.595 1.969 1.00 0.00 C ATOM 459 NE ARG A 33 6.364 2.851 1.688 1.00 0.00 N ATOM 460 CZ ARG A 33 7.582 3.409 1.666 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.724 4.719 1.909 1.00 0.00 N ATOM 462 NH2 ARG A 33 8.659 2.656 1.402 1.00 0.00 N ATOM 0 H ARG A 33 1.352 1.785 1.859 1.00 0.00 H new ATOM 0 HA ARG A 33 1.630 2.631 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.952 3.322 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.740 1.590 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.253 1.629 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.127 2.935 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.916 4.303 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.227 4.175 2.885 1.00 0.00 H new ATOM 0 HE ARG A 33 6.293 1.851 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.905 5.292 2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.651 5.143 1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.551 1.659 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.586 3.080 1.385 1.00 0.00 H new ATOM 476 N GLY A 34 1.861 5.117 3.931 1.00 0.00 N ATOM 477 CA GLY A 34 1.564 6.492 3.566 1.00 0.00 C ATOM 478 C GLY A 34 0.195 6.917 4.100 1.00 0.00 C ATOM 479 O GLY A 34 -0.289 6.366 5.087 1.00 0.00 O ATOM 0 H GLY A 34 2.300 5.004 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.335 7.152 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.584 6.597 2.481 1.00 0.00 H new ATOM 483 N ASN A 35 -0.391 7.894 3.422 1.00 0.00 N ATOM 484 CA ASN A 35 -1.695 8.399 3.816 1.00 0.00 C ATOM 485 C ASN A 35 -2.726 8.024 2.750 1.00 0.00 C ATOM 486 O ASN A 35 -3.483 7.069 2.921 1.00 0.00 O ATOM 487 CB ASN A 35 -1.680 9.924 3.943 1.00 0.00 C ATOM 488 CG ASN A 35 -0.597 10.537 3.053 1.00 0.00 C ATOM 489 OD1 ASN A 35 0.581 10.246 3.174 1.00 0.00 O ATOM 490 ND2 ASN A 35 -1.061 11.400 2.154 1.00 0.00 N ATOM 0 H ASN A 35 0.013 8.348 2.603 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.949 7.959 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.655 10.325 3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.504 10.204 4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.418 11.863 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.060 11.599 2.106 1.00 0.00 H new ATOM 497 N THR A 36 -2.723 8.795 1.672 1.00 0.00 N ATOM 498 CA THR A 36 -3.649 8.556 0.578 1.00 0.00 C ATOM 499 C THR A 36 -3.292 9.433 -0.624 1.00 0.00 C ATOM 500 O THR A 36 -2.935 10.599 -0.461 1.00 0.00 O ATOM 501 CB THR A 36 -5.068 8.788 1.100 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.886 8.689 -0.063 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.286 10.222 1.588 1.00 0.00 C ATOM 0 H THR A 36 -2.094 9.586 1.533 1.00 0.00 H new ATOM 0 HA THR A 36 -3.583 7.528 0.221 1.00 0.00 H new ATOM 0 HB THR A 36 -5.273 8.093 1.914 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.361 9.535 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.309 10.332 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.591 10.440 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.114 10.916 0.766 1.00 0.00 H new ATOM 511 N PRO A 37 -3.405 8.824 -1.834 1.00 0.00 N ATOM 512 CA PRO A 37 -3.834 7.439 -1.938 1.00 0.00 C ATOM 513 C PRO A 37 -2.713 6.485 -1.522 1.00 0.00 C ATOM 514 O PRO A 37 -1.573 6.633 -1.958 1.00 0.00 O ATOM 515 CB PRO A 37 -4.255 7.266 -3.388 1.00 0.00 C ATOM 516 CG PRO A 37 -3.613 8.414 -4.149 1.00 0.00 C ATOM 517 CD PRO A 37 -3.126 9.433 -3.131 1.00 0.00 C ATOM 0 HA PRO A 37 -4.660 7.202 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.923 6.304 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.340 7.292 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.782 8.053 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.331 8.869 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.062 9.636 -3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.647 10.384 -3.242 1.00 0.00 H new ATOM 525 N VAL A 38 -3.077 5.525 -0.683 1.00 0.00 N ATOM 526 CA VAL A 38 -2.117 4.547 -0.204 1.00 0.00 C ATOM 527 C VAL A 38 -1.445 3.869 -1.400 1.00 0.00 C ATOM 528 O VAL A 38 -2.090 3.613 -2.416 1.00 0.00 O ATOM 529 CB VAL A 38 -2.805 3.555 0.737 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.186 4.226 2.058 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.029 2.925 0.069 1.00 0.00 C ATOM 0 H VAL A 38 -4.024 5.405 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.333 5.034 0.376 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.096 2.757 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.673 3.499 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.288 4.605 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.869 5.053 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.500 2.224 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.741 3.706 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.719 2.395 -0.832 1.00 0.00 H new ATOM 541 N GLN A 39 -0.158 3.597 -1.240 1.00 0.00 N ATOM 542 CA GLN A 39 0.607 2.954 -2.294 1.00 0.00 C ATOM 543 C GLN A 39 0.674 1.444 -2.056 1.00 0.00 C ATOM 544 O GLN A 39 0.014 0.923 -1.158 1.00 0.00 O ATOM 545 CB GLN A 39 2.010 3.555 -2.398 1.00 0.00 C ATOM 546 CG GLN A 39 2.124 4.474 -3.615 1.00 0.00 C ATOM 547 CD GLN A 39 3.505 5.130 -3.680 1.00 0.00 C ATOM 548 OE1 GLN A 39 4.012 5.205 -4.907 1.00 0.00 O flip ATOM 549 NE2 GLN A 39 4.073 5.541 -2.681 1.00 0.00 N flip ATOM 0 H GLN A 39 0.374 3.810 -0.396 1.00 0.00 H new ATOM 0 HA GLN A 39 0.100 3.131 -3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.237 4.116 -1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.747 2.756 -2.471 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.946 3.901 -4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.354 5.244 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.627 5.452 -1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.994 5.973 -2.759 1.00 0.00 H new ATOM 558 N VAL A 40 1.478 0.782 -2.876 1.00 0.00 N ATOM 559 CA VAL A 40 1.639 -0.657 -2.765 1.00 0.00 C ATOM 560 C VAL A 40 3.126 -0.990 -2.620 1.00 0.00 C ATOM 561 O VAL A 40 3.913 -0.743 -3.532 1.00 0.00 O ATOM 562 CB VAL A 40 0.987 -1.350 -3.963 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.265 -2.855 -3.944 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.517 -1.071 -4.006 1.00 0.00 C ATOM 0 H VAL A 40 2.025 1.216 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 40 1.133 -1.030 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 40 1.430 -0.939 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.790 -3.324 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.341 -3.027 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.862 -3.288 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.956 -1.575 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.982 -1.442 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.686 0.003 -4.089 1.00 0.00 H new ATOM 574 N HIS A 41 3.465 -1.545 -1.465 1.00 0.00 N ATOM 575 CA HIS A 41 4.843 -1.913 -1.188 1.00 0.00 C ATOM 576 C HIS A 41 4.989 -3.435 -1.251 1.00 0.00 C ATOM 577 O HIS A 41 4.870 -4.116 -0.234 1.00 0.00 O ATOM 578 CB HIS A 41 5.303 -1.328 0.148 1.00 0.00 C ATOM 579 CG HIS A 41 6.797 -1.129 0.249 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.573 -0.723 -0.822 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.647 -1.283 1.305 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.833 -0.640 -0.419 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.876 -0.989 0.900 1.00 0.00 N ATOM 0 H HIS A 41 2.809 -1.749 -0.711 1.00 0.00 H new ATOM 0 HA HIS A 41 5.498 -1.488 -1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.808 -0.370 0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.979 -1.988 0.953 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.367 -1.592 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.677 -0.348 -1.027 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.715 -1.019 1.479 1.00 0.00 H new ATOM 591 N PHE A 42 5.246 -3.923 -2.456 1.00 0.00 N ATOM 592 CA PHE A 42 5.410 -5.352 -2.665 1.00 0.00 C ATOM 593 C PHE A 42 6.538 -5.907 -1.793 1.00 0.00 C ATOM 594 O PHE A 42 7.648 -5.376 -1.795 1.00 0.00 O ATOM 595 CB PHE A 42 5.775 -5.549 -4.137 1.00 0.00 C ATOM 596 CG PHE A 42 4.566 -5.712 -5.061 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.611 -6.637 -4.775 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.447 -4.932 -6.169 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.490 -6.788 -5.633 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.326 -5.083 -7.026 1.00 0.00 C ATOM 601 CZ PHE A 42 2.371 -6.008 -6.740 1.00 0.00 C ATOM 0 H PHE A 42 5.345 -3.355 -3.297 1.00 0.00 H new ATOM 0 HA PHE A 42 4.491 -5.875 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.363 -4.695 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.411 -6.430 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.705 -7.257 -3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.206 -4.198 -6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.732 -7.523 -5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.231 -4.463 -7.905 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.518 -6.123 -7.392 1.00 0.00 H new ATOM 611 N LEU A 43 6.216 -6.969 -1.069 1.00 0.00 N ATOM 612 CA LEU A 43 7.188 -7.602 -0.194 1.00 0.00 C ATOM 613 C LEU A 43 7.688 -8.893 -0.845 1.00 0.00 C ATOM 614 O LEU A 43 8.823 -9.309 -0.615 1.00 0.00 O ATOM 615 CB LEU A 43 6.599 -7.806 1.203 1.00 0.00 C ATOM 616 CG LEU A 43 6.245 -6.533 1.974 1.00 0.00 C ATOM 617 CD1 LEU A 43 5.344 -6.848 3.169 1.00 0.00 C ATOM 618 CD2 LEU A 43 7.508 -5.776 2.393 1.00 0.00 C ATOM 0 H LEU A 43 5.295 -7.407 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 43 8.055 -6.956 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.699 -8.413 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.311 -8.380 1.796 1.00 0.00 H new ATOM 0 HG LEU A 43 5.682 -5.878 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.108 -5.926 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.422 -7.311 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.859 -7.532 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.228 -4.875 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.119 -6.413 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.078 -5.500 1.506 1.00 0.00 H new ATOM 630 N ASP A 44 6.818 -9.491 -1.645 1.00 0.00 N ATOM 631 CA ASP A 44 7.157 -10.726 -2.331 1.00 0.00 C ATOM 632 C ASP A 44 6.913 -10.554 -3.832 1.00 0.00 C ATOM 633 O ASP A 44 5.834 -10.132 -4.245 1.00 0.00 O ATOM 634 CB ASP A 44 6.287 -11.885 -1.840 1.00 0.00 C ATOM 635 CG ASP A 44 7.060 -13.119 -1.370 1.00 0.00 C ATOM 636 OD1 ASP A 44 8.290 -12.986 -1.196 1.00 0.00 O ATOM 637 OD2 ASP A 44 6.402 -14.167 -1.195 1.00 0.00 O ATOM 0 H ASP A 44 5.878 -9.143 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 44 8.204 -10.949 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.665 -11.530 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.614 -12.181 -2.645 1.00 0.00 H new ATOM 642 N PRO A 45 7.961 -10.899 -4.627 1.00 0.00 N ATOM 643 CA PRO A 45 7.871 -10.788 -6.073 1.00 0.00 C ATOM 644 C PRO A 45 7.013 -11.911 -6.658 1.00 0.00 C ATOM 645 O PRO A 45 6.673 -11.887 -7.839 1.00 0.00 O ATOM 646 CB PRO A 45 9.311 -10.825 -6.561 1.00 0.00 C ATOM 647 CG PRO A 45 10.121 -11.421 -5.421 1.00 0.00 C ATOM 648 CD PRO A 45 9.254 -11.403 -4.173 1.00 0.00 C ATOM 0 HA PRO A 45 7.379 -9.870 -6.394 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.402 -11.430 -7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.665 -9.825 -6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.424 -12.440 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.033 -10.847 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.161 -12.399 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.681 -10.760 -3.403 1.00 0.00 H new ATOM 656 N HIS A 46 6.687 -12.870 -5.802 1.00 0.00 N ATOM 657 CA HIS A 46 5.875 -14.000 -6.219 1.00 0.00 C ATOM 658 C HIS A 46 4.743 -14.217 -5.213 1.00 0.00 C ATOM 659 O HIS A 46 4.704 -15.238 -4.528 1.00 0.00 O ATOM 660 CB HIS A 46 6.739 -15.247 -6.418 1.00 0.00 C ATOM 661 CG HIS A 46 8.201 -14.949 -6.652 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.860 -14.551 -7.778 1.00 0.00 N flip ATOM 663 CD2 HIS A 46 9.156 -15.054 -5.656 1.00 0.00 C flip ATOM 664 CE1 HIS A 46 10.148 -14.418 -7.485 1.00 0.00 C flip ATOM 665 NE2 HIS A 46 10.334 -14.730 -6.171 1.00 0.00 N flip ATOM 0 H HIS A 46 6.971 -12.887 -4.822 1.00 0.00 H new ATOM 0 HA HIS A 46 5.419 -13.788 -7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.645 -15.886 -5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.353 -15.812 -7.266 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.973 -15.350 -4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.921 -14.113 -8.174 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.223 -14.717 -5.672 1.00 0.00 H new ATOM 673 N CYS A 47 3.850 -13.241 -5.155 1.00 0.00 N ATOM 674 CA CYS A 47 2.720 -13.312 -4.244 1.00 0.00 C ATOM 675 C CYS A 47 1.453 -13.555 -5.067 1.00 0.00 C ATOM 676 O CYS A 47 1.218 -14.666 -5.538 1.00 0.00 O ATOM 677 CB CYS A 47 2.608 -12.053 -3.382 1.00 0.00 C ATOM 678 SG CYS A 47 3.090 -10.582 -4.358 1.00 0.00 S ATOM 0 H CYS A 47 3.886 -12.396 -5.725 1.00 0.00 H new ATOM 0 HA CYS A 47 2.863 -14.138 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.586 -11.940 -3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.249 -12.144 -2.505 1.00 0.00 H new ATOM 0 HG CYS A 47 4.279 -10.195 -4.001 1.00 0.00 H new ATOM 684 N SER A 48 0.671 -12.496 -5.216 1.00 0.00 N ATOM 685 CA SER A 48 -0.566 -12.580 -5.974 1.00 0.00 C ATOM 686 C SER A 48 -0.835 -11.252 -6.685 1.00 0.00 C ATOM 687 O SER A 48 -1.007 -11.219 -7.902 1.00 0.00 O ATOM 688 CB SER A 48 -1.743 -12.946 -5.068 1.00 0.00 C ATOM 689 OG SER A 48 -1.523 -14.170 -4.374 1.00 0.00 O ATOM 0 H SER A 48 0.870 -11.575 -4.825 1.00 0.00 H new ATOM 0 HA SER A 48 -0.458 -13.368 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.908 -12.145 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.650 -13.027 -5.667 1.00 0.00 H new ATOM 0 HG SER A 48 -1.605 -14.018 -3.409 1.00 0.00 H new ATOM 695 N ALA A 49 -0.864 -10.189 -5.894 1.00 0.00 N ATOM 696 CA ALA A 49 -1.110 -8.862 -6.432 1.00 0.00 C ATOM 697 C ALA A 49 -0.115 -8.582 -7.561 1.00 0.00 C ATOM 698 O ALA A 49 -0.496 -8.082 -8.618 1.00 0.00 O ATOM 699 CB ALA A 49 -1.019 -7.830 -5.307 1.00 0.00 C ATOM 0 H ALA A 49 -0.721 -10.220 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.114 -8.798 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.204 -6.834 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.764 -8.056 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.024 -7.863 -4.863 1.00 0.00 H new ATOM 705 N SER A 50 1.139 -8.917 -7.298 1.00 0.00 N ATOM 706 CA SER A 50 2.191 -8.708 -8.279 1.00 0.00 C ATOM 707 C SER A 50 1.937 -9.578 -9.512 1.00 0.00 C ATOM 708 O SER A 50 1.978 -9.089 -10.640 1.00 0.00 O ATOM 709 CB SER A 50 3.567 -9.018 -7.685 1.00 0.00 C ATOM 710 OG SER A 50 4.605 -8.289 -8.335 1.00 0.00 O ATOM 0 H SER A 50 1.451 -9.332 -6.420 1.00 0.00 H new ATOM 0 HA SER A 50 2.180 -7.659 -8.574 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.566 -8.777 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.766 -10.086 -7.770 1.00 0.00 H new ATOM 0 HG SER A 50 5.467 -8.513 -7.926 1.00 0.00 H new ATOM 716 N LEU A 51 1.679 -10.852 -9.255 1.00 0.00 N ATOM 717 CA LEU A 51 1.418 -11.794 -10.331 1.00 0.00 C ATOM 718 C LEU A 51 0.112 -11.413 -11.030 1.00 0.00 C ATOM 719 O LEU A 51 -0.119 -11.799 -12.175 1.00 0.00 O ATOM 720 CB LEU A 51 1.437 -13.229 -9.802 1.00 0.00 C ATOM 721 CG LEU A 51 2.778 -13.725 -9.257 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.591 -14.978 -8.398 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.781 -13.951 -10.390 1.00 0.00 C ATOM 0 H LEU A 51 1.645 -11.254 -8.318 1.00 0.00 H new ATOM 0 HA LEU A 51 2.207 -11.745 -11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.692 -13.313 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.125 -13.896 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 51 3.192 -12.951 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.559 -15.310 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.936 -14.749 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.145 -15.769 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.725 -14.303 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.388 -14.697 -11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.946 -13.014 -10.922 1.00 0.00 H new ATOM 735 N ALA A 52 -0.710 -10.661 -10.312 1.00 0.00 N ATOM 736 CA ALA A 52 -1.987 -10.224 -10.850 1.00 0.00 C ATOM 737 C ALA A 52 -1.744 -9.227 -11.984 1.00 0.00 C ATOM 738 O ALA A 52 -2.129 -9.475 -13.126 1.00 0.00 O ATOM 739 CB ALA A 52 -2.838 -9.632 -9.725 1.00 0.00 C ATOM 0 H ALA A 52 -0.516 -10.343 -9.362 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.537 -11.068 -11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.796 -9.304 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.006 -10.389 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.319 -8.781 -9.285 1.00 0.00 H new ATOM 745 N GLY A 53 -1.106 -8.121 -11.631 1.00 0.00 N ATOM 746 CA GLY A 53 -0.807 -7.086 -12.605 1.00 0.00 C ATOM 747 C GLY A 53 -0.580 -5.737 -11.920 1.00 0.00 C ATOM 748 O GLY A 53 -1.080 -4.711 -12.379 1.00 0.00 O ATOM 0 H GLY A 53 -0.788 -7.919 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.081 -7.363 -13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.629 -7.003 -13.316 1.00 0.00 H new ATOM 752 N ALA A 54 0.175 -5.782 -10.832 1.00 0.00 N ATOM 753 CA ALA A 54 0.474 -4.576 -10.078 1.00 0.00 C ATOM 754 C ALA A 54 1.991 -4.386 -10.010 1.00 0.00 C ATOM 755 O ALA A 54 2.747 -5.344 -10.162 1.00 0.00 O ATOM 756 CB ALA A 54 -0.165 -4.668 -8.691 1.00 0.00 C ATOM 0 H ALA A 54 0.589 -6.635 -10.455 1.00 0.00 H new ATOM 0 HA ALA A 54 0.053 -3.700 -10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.060 -3.763 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.245 -4.773 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.234 -5.534 -8.163 1.00 0.00 H new ATOM 762 N LYS A 55 2.390 -3.143 -9.780 1.00 0.00 N ATOM 763 CA LYS A 55 3.802 -2.816 -9.689 1.00 0.00 C ATOM 764 C LYS A 55 4.041 -1.946 -8.453 1.00 0.00 C ATOM 765 O LYS A 55 3.092 -1.468 -7.833 1.00 0.00 O ATOM 766 CB LYS A 55 4.289 -2.179 -10.992 1.00 0.00 C ATOM 767 CG LYS A 55 3.992 -0.678 -11.014 1.00 0.00 C ATOM 768 CD LYS A 55 4.875 0.041 -12.036 1.00 0.00 C ATOM 769 CE LYS A 55 4.830 1.556 -11.829 1.00 0.00 C ATOM 770 NZ LYS A 55 3.673 2.143 -12.541 1.00 0.00 N ATOM 0 H LYS A 55 1.760 -2.351 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 55 4.395 -3.721 -9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.361 -2.343 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.804 -2.662 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.942 -0.515 -11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.159 -0.256 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.902 -0.312 -11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.542 -0.202 -13.045 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.762 1.782 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.754 2.006 -12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.658 3.172 -12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.754 1.944 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.793 1.726 -12.176 1.00 0.00 H new ATOM 784 N GLU A 56 5.314 -1.769 -8.131 1.00 0.00 N ATOM 785 CA GLU A 56 5.690 -0.966 -6.980 1.00 0.00 C ATOM 786 C GLU A 56 5.381 0.510 -7.239 1.00 0.00 C ATOM 787 O GLU A 56 5.731 1.047 -8.289 1.00 0.00 O ATOM 788 CB GLU A 56 7.166 -1.163 -6.631 1.00 0.00 C ATOM 789 CG GLU A 56 7.436 -0.812 -5.167 1.00 0.00 C ATOM 790 CD GLU A 56 8.920 -0.519 -4.938 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.690 -1.502 -4.875 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.252 0.681 -4.831 1.00 0.00 O ATOM 0 H GLU A 56 6.098 -2.168 -8.647 1.00 0.00 H new ATOM 0 HA GLU A 56 5.101 -1.296 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.453 -2.198 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.783 -0.539 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.842 0.056 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.122 -1.637 -4.528 1.00 0.00 H new ATOM 799 N GLY A 57 4.728 1.125 -6.264 1.00 0.00 N ATOM 800 CA GLY A 57 4.368 2.529 -6.373 1.00 0.00 C ATOM 801 C GLY A 57 2.943 2.689 -6.906 1.00 0.00 C ATOM 802 O GLY A 57 2.576 3.756 -7.397 1.00 0.00 O ATOM 0 H GLY A 57 4.439 0.677 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.451 3.006 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.068 3.037 -7.037 1.00 0.00 H new ATOM 806 N ASP A 58 2.178 1.614 -6.791 1.00 0.00 N ATOM 807 CA ASP A 58 0.801 1.622 -7.255 1.00 0.00 C ATOM 808 C ASP A 58 -0.093 2.233 -6.174 1.00 0.00 C ATOM 809 O ASP A 58 0.012 1.877 -5.002 1.00 0.00 O ATOM 810 CB ASP A 58 0.304 0.201 -7.531 1.00 0.00 C ATOM 811 CG ASP A 58 0.734 -0.384 -8.878 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.278 0.398 -9.688 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.509 -1.598 -9.067 1.00 0.00 O ATOM 0 H ASP A 58 2.485 0.731 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 58 0.759 2.204 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.662 -0.454 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.785 0.197 -7.481 1.00 0.00 H new ATOM 818 N TYR A 59 -0.953 3.143 -6.608 1.00 0.00 N ATOM 819 CA TYR A 59 -1.865 3.808 -5.692 1.00 0.00 C ATOM 820 C TYR A 59 -3.291 3.278 -5.858 1.00 0.00 C ATOM 821 O TYR A 59 -3.913 3.474 -6.901 1.00 0.00 O ATOM 822 CB TYR A 59 -1.837 5.290 -6.071 1.00 0.00 C ATOM 823 CG TYR A 59 -0.440 5.912 -6.046 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.471 5.603 -7.035 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.091 6.783 -5.034 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.786 6.189 -7.012 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.224 7.369 -5.010 1.00 0.00 C ATOM 828 CZ TYR A 59 2.098 7.043 -6.000 1.00 0.00 C ATOM 829 OH TYR A 59 3.340 7.597 -5.978 1.00 0.00 O ATOM 0 H TYR A 59 -1.038 3.435 -7.582 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.565 3.635 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.258 5.407 -7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.482 5.842 -5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.198 4.921 -7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.804 7.025 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.508 5.956 -7.781 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.510 8.052 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 59 3.975 6.961 -5.587 1.00 0.00 H new ATOM 839 N ILE A 60 -3.767 2.616 -4.813 1.00 0.00 N ATOM 840 CA ILE A 60 -5.108 2.057 -4.830 1.00 0.00 C ATOM 841 C ILE A 60 -6.126 3.187 -4.999 1.00 0.00 C ATOM 842 O ILE A 60 -6.102 4.165 -4.253 1.00 0.00 O ATOM 843 CB ILE A 60 -5.345 1.197 -3.587 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.404 -0.010 -3.567 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.813 0.780 -3.480 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.196 -0.520 -2.140 1.00 0.00 C ATOM 0 H ILE A 60 -3.248 2.454 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.231 1.388 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.116 1.799 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.816 -0.807 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.443 0.266 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.954 0.170 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.440 1.669 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.093 0.204 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.524 -1.378 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.761 0.272 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.155 -0.818 -1.717 1.00 0.00 H new ATOM 858 N VAL A 61 -6.995 3.015 -5.983 1.00 0.00 N ATOM 859 CA VAL A 61 -8.019 4.008 -6.259 1.00 0.00 C ATOM 860 C VAL A 61 -9.395 3.417 -5.945 1.00 0.00 C ATOM 861 O VAL A 61 -10.287 4.124 -5.480 1.00 0.00 O ATOM 862 CB VAL A 61 -7.895 4.499 -7.703 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.518 5.116 -7.956 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.181 3.369 -8.694 1.00 0.00 C ATOM 0 H VAL A 61 -7.011 2.203 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.887 4.881 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.644 5.276 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.456 5.457 -8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.370 5.962 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.745 4.369 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.086 3.746 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.468 2.559 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.193 2.996 -8.538 1.00 0.00 H new ATOM 874 N SER A 62 -9.524 2.125 -6.212 1.00 0.00 N ATOM 875 CA SER A 62 -10.776 1.431 -5.963 1.00 0.00 C ATOM 876 C SER A 62 -10.528 -0.076 -5.866 1.00 0.00 C ATOM 877 O SER A 62 -9.555 -0.586 -6.419 1.00 0.00 O ATOM 878 CB SER A 62 -11.799 1.731 -7.060 1.00 0.00 C ATOM 879 OG SER A 62 -12.233 3.088 -7.029 1.00 0.00 O ATOM 0 H SER A 62 -8.782 1.541 -6.598 1.00 0.00 H new ATOM 0 HA SER A 62 -11.183 1.788 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.361 1.513 -8.034 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.660 1.072 -6.943 1.00 0.00 H new ATOM 0 HG SER A 62 -11.779 3.560 -6.300 1.00 0.00 H new ATOM 885 N ILE A 63 -11.426 -0.746 -5.159 1.00 0.00 N ATOM 886 CA ILE A 63 -11.317 -2.184 -4.982 1.00 0.00 C ATOM 887 C ILE A 63 -12.690 -2.825 -5.196 1.00 0.00 C ATOM 888 O ILE A 63 -13.613 -2.599 -4.415 1.00 0.00 O ATOM 889 CB ILE A 63 -10.690 -2.512 -3.626 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.331 -1.826 -3.470 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.597 -4.024 -3.415 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.789 -1.999 -2.050 1.00 0.00 C ATOM 0 H ILE A 63 -12.232 -0.320 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.646 -2.609 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.341 -2.119 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.624 -2.245 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.427 -0.765 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.148 -4.229 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.596 -4.459 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.981 -4.464 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.822 -1.502 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.487 -1.558 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.671 -3.061 -1.832 1.00 0.00 H new ATOM 904 N GLN A 64 -12.782 -3.612 -6.258 1.00 0.00 N ATOM 905 CA GLN A 64 -14.026 -4.288 -6.584 1.00 0.00 C ATOM 906 C GLN A 64 -15.026 -3.297 -7.183 1.00 0.00 C ATOM 907 O GLN A 64 -15.526 -3.506 -8.288 1.00 0.00 O ATOM 908 CB GLN A 64 -14.613 -4.981 -5.353 1.00 0.00 C ATOM 909 CG GLN A 64 -14.678 -6.496 -5.556 1.00 0.00 C ATOM 910 CD GLN A 64 -15.994 -6.903 -6.223 1.00 0.00 C ATOM 911 OE1 GLN A 64 -17.077 -6.667 -5.714 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.839 -7.526 -7.388 1.00 0.00 N ATOM 0 H GLN A 64 -12.015 -3.797 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.815 -5.057 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.004 -4.753 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.612 -4.594 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.839 -6.821 -6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.582 -7.000 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.903 -7.692 -7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.656 -7.838 -7.912 1.00 0.00 H new ATOM 921 N GLY A 65 -15.288 -2.240 -6.429 1.00 0.00 N ATOM 922 CA GLY A 65 -16.220 -1.216 -6.872 1.00 0.00 C ATOM 923 C GLY A 65 -16.431 -0.160 -5.786 1.00 0.00 C ATOM 924 O GLY A 65 -17.538 0.348 -5.615 1.00 0.00 O ATOM 0 H GLY A 65 -14.871 -2.070 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.841 -0.741 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.175 -1.675 -7.129 1.00 0.00 H new ATOM 928 N VAL A 66 -15.350 0.141 -5.080 1.00 0.00 N ATOM 929 CA VAL A 66 -15.403 1.128 -4.015 1.00 0.00 C ATOM 930 C VAL A 66 -14.328 2.189 -4.255 1.00 0.00 C ATOM 931 O VAL A 66 -13.387 1.964 -5.015 1.00 0.00 O ATOM 932 CB VAL A 66 -15.269 0.439 -2.655 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.107 1.467 -1.534 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.462 -0.481 -2.388 1.00 0.00 C ATOM 0 H VAL A 66 -14.433 -0.281 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.367 1.636 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.370 -0.176 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.014 0.951 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.212 2.063 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.979 2.120 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.343 -0.959 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.381 0.104 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.513 -1.245 -3.164 1.00 0.00 H new ATOM 944 N ASP A 67 -14.503 3.324 -3.594 1.00 0.00 N ATOM 945 CA ASP A 67 -13.559 4.421 -3.727 1.00 0.00 C ATOM 946 C ASP A 67 -12.463 4.275 -2.669 1.00 0.00 C ATOM 947 O ASP A 67 -12.734 4.364 -1.473 1.00 0.00 O ATOM 948 CB ASP A 67 -14.248 5.770 -3.511 1.00 0.00 C ATOM 949 CG ASP A 67 -14.063 6.779 -4.645 1.00 0.00 C ATOM 950 OD1 ASP A 67 -13.737 6.324 -5.763 1.00 0.00 O ATOM 951 OD2 ASP A 67 -14.251 7.984 -4.370 1.00 0.00 O ATOM 0 H ASP A 67 -15.284 3.508 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.141 4.387 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.315 5.597 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.871 6.210 -2.588 1.00 0.00 H new ATOM 956 N CYS A 68 -11.248 4.054 -3.149 1.00 0.00 N ATOM 957 CA CYS A 68 -10.110 3.896 -2.259 1.00 0.00 C ATOM 958 C CYS A 68 -9.046 4.923 -2.653 1.00 0.00 C ATOM 959 O CYS A 68 -7.853 4.623 -2.636 1.00 0.00 O ATOM 960 CB CYS A 68 -9.563 2.467 -2.289 1.00 0.00 C ATOM 961 SG CYS A 68 -10.613 1.373 -1.265 1.00 0.00 S ATOM 0 H CYS A 68 -11.027 3.981 -4.142 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.422 4.074 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.535 2.101 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.538 2.453 -1.917 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.861 0.542 -0.606 1.00 0.00 H new ATOM 967 N LYS A 69 -9.516 6.112 -2.998 1.00 0.00 N ATOM 968 CA LYS A 69 -8.620 7.185 -3.395 1.00 0.00 C ATOM 969 C LYS A 69 -8.440 8.153 -2.223 1.00 0.00 C ATOM 970 O LYS A 69 -7.424 8.841 -2.133 1.00 0.00 O ATOM 971 CB LYS A 69 -9.122 7.856 -4.675 1.00 0.00 C ATOM 972 CG LYS A 69 -7.964 8.147 -5.632 1.00 0.00 C ATOM 973 CD LYS A 69 -8.233 9.411 -6.450 1.00 0.00 C ATOM 974 CE LYS A 69 -9.394 9.198 -7.422 1.00 0.00 C ATOM 975 NZ LYS A 69 -8.914 9.247 -8.822 1.00 0.00 N ATOM 0 H LYS A 69 -10.506 6.357 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.634 6.788 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.851 7.211 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.635 8.785 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.040 8.266 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.820 7.300 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.462 10.240 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.336 9.688 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.867 8.236 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.153 9.964 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.715 9.101 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.483 10.175 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.206 8.500 -8.973 1.00 0.00 H new ATOM 989 N TRP A 70 -9.441 8.175 -1.356 1.00 0.00 N ATOM 990 CA TRP A 70 -9.405 9.047 -0.194 1.00 0.00 C ATOM 991 C TRP A 70 -9.099 8.187 1.033 1.00 0.00 C ATOM 992 O TRP A 70 -8.414 8.632 1.953 1.00 0.00 O ATOM 993 CB TRP A 70 -10.710 9.836 -0.061 1.00 0.00 C ATOM 994 CG TRP A 70 -11.225 10.414 -1.380 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.919 9.787 -2.340 1.00 0.00 C ATOM 996 CD2 TRP A 70 -11.059 11.769 -1.848 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.210 10.635 -3.389 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.671 11.878 -3.080 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.414 12.865 -1.251 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.698 13.067 -3.820 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.449 14.046 -2.003 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -11.061 14.173 -3.244 1.00 0.00 C ATOM 0 H TRP A 70 -10.282 7.603 -1.435 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.620 9.797 -0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.475 9.185 0.362 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.559 10.651 0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.213 8.749 -2.298 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.726 10.394 -4.235 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.929 12.802 -0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.184 13.127 -4.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.966 14.919 -1.589 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.045 15.121 -3.762 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.621 6.969 1.009 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.411 6.042 2.108 1.00 0.00 C ATOM 1015 C LEU A 71 -7.923 6.005 2.461 1.00 0.00 C ATOM 1016 O LEU A 71 -7.078 6.363 1.642 1.00 0.00 O ATOM 1017 CB LEU A 71 -9.998 4.670 1.772 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.476 4.651 1.377 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.044 3.232 1.445 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.284 5.633 2.229 1.00 0.00 C ATOM 0 H LEU A 71 -10.189 6.603 0.245 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.942 6.380 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.419 4.239 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.865 4.019 2.636 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.557 4.981 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.096 3.247 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.492 2.586 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.949 2.851 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.331 5.600 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.200 5.357 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.897 6.642 2.086 1.00 0.00 H new ATOM 1032 N THR A 72 -7.648 5.568 3.681 1.00 0.00 N ATOM 1033 CA THR A 72 -6.276 5.479 4.153 1.00 0.00 C ATOM 1034 C THR A 72 -5.769 4.039 4.049 1.00 0.00 C ATOM 1035 O THR A 72 -6.236 3.272 3.208 1.00 0.00 O ATOM 1036 CB THR A 72 -6.229 6.039 5.576 1.00 0.00 C ATOM 1037 OG1 THR A 72 -6.755 4.987 6.381 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.210 7.194 5.785 1.00 0.00 C ATOM 0 H THR A 72 -8.352 5.272 4.357 1.00 0.00 H new ATOM 0 HA THR A 72 -5.604 6.072 3.533 1.00 0.00 H new ATOM 0 HB THR A 72 -5.217 6.378 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.759 5.265 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.135 7.554 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.969 8.005 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.226 6.847 5.595 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.819 3.716 4.914 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.243 2.382 4.930 1.00 0.00 C ATOM 1048 C VAL A 73 -5.199 1.428 5.648 1.00 0.00 C ATOM 1049 O VAL A 73 -5.404 0.299 5.204 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.850 2.421 5.562 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.472 1.056 6.139 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.804 2.899 4.553 1.00 0.00 C ATOM 0 H VAL A 73 -4.434 4.355 5.609 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.114 2.009 3.914 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.874 3.137 6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.478 1.111 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.195 0.771 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.474 0.311 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.823 2.918 5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.783 2.219 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.060 3.901 4.210 1.00 0.00 H new ATOM 1062 N SER A 74 -5.758 1.915 6.746 1.00 0.00 N ATOM 1063 CA SER A 74 -6.687 1.119 7.530 1.00 0.00 C ATOM 1064 C SER A 74 -7.947 0.829 6.712 1.00 0.00 C ATOM 1065 O SER A 74 -8.228 -0.324 6.387 1.00 0.00 O ATOM 1066 CB SER A 74 -7.054 1.828 8.836 1.00 0.00 C ATOM 1067 OG SER A 74 -7.244 0.907 9.907 1.00 0.00 O ATOM 0 H SER A 74 -5.585 2.851 7.111 1.00 0.00 H new ATOM 0 HA SER A 74 -6.201 0.177 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.266 2.533 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.965 2.408 8.690 1.00 0.00 H new ATOM 0 HG SER A 74 -7.475 1.398 10.723 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.671 1.894 6.402 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.895 1.768 5.628 1.00 0.00 C ATOM 1075 C GLU A 75 -9.718 0.724 4.523 1.00 0.00 C ATOM 1076 O GLU A 75 -10.472 -0.245 4.454 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.316 3.118 5.045 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.234 3.870 6.011 1.00 0.00 C ATOM 1079 CD GLU A 75 -11.254 5.367 5.696 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.191 5.872 5.274 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -12.331 5.972 5.883 1.00 0.00 O ATOM 0 H GLU A 75 -8.434 2.848 6.673 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.691 1.433 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.431 3.720 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.829 2.964 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.245 3.467 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.895 3.715 7.035 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.718 0.958 3.686 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.433 0.051 2.588 1.00 0.00 C ATOM 1090 C VAL A 76 -8.173 -1.350 3.144 1.00 0.00 C ATOM 1091 O VAL A 76 -8.820 -2.314 2.737 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.268 0.589 1.754 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.862 -0.412 0.670 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.613 1.948 1.143 1.00 0.00 C ATOM 0 H VAL A 76 -8.095 1.763 3.746 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.290 -0.019 1.918 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.416 0.727 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.032 -0.005 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.555 -1.348 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.709 -0.596 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.768 2.308 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.486 1.846 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.831 2.660 1.939 1.00 0.00 H new ATOM 1104 N MET A 77 -7.224 -1.420 4.066 1.00 0.00 N ATOM 1105 CA MET A 77 -6.871 -2.687 4.683 1.00 0.00 C ATOM 1106 C MET A 77 -8.121 -3.503 5.014 1.00 0.00 C ATOM 1107 O MET A 77 -8.169 -4.705 4.757 1.00 0.00 O ATOM 1108 CB MET A 77 -6.076 -2.428 5.964 1.00 0.00 C ATOM 1109 CG MET A 77 -4.579 -2.649 5.735 1.00 0.00 C ATOM 1110 SD MET A 77 -4.274 -4.353 5.300 1.00 0.00 S ATOM 1111 CE MET A 77 -2.926 -4.143 4.149 1.00 0.00 C ATOM 0 H MET A 77 -6.688 -0.619 4.401 1.00 0.00 H new ATOM 0 HA MET A 77 -6.265 -3.256 3.978 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.249 -1.407 6.303 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.428 -3.090 6.755 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.223 -1.993 4.941 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.023 -2.390 6.636 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.449 -5.106 3.968 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.309 -3.746 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.196 -3.449 4.566 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.104 -2.818 5.580 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.352 -3.464 5.949 1.00 0.00 C ATOM 1123 C LYS A 78 -11.144 -3.795 4.682 1.00 0.00 C ATOM 1124 O LYS A 78 -11.811 -4.826 4.615 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.125 -2.604 6.951 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.769 -2.985 8.389 1.00 0.00 C ATOM 1127 CD LYS A 78 -11.533 -2.117 9.391 1.00 0.00 C ATOM 1128 CE LYS A 78 -10.750 -1.969 10.698 1.00 0.00 C ATOM 1129 NZ LYS A 78 -11.546 -1.224 11.698 1.00 0.00 N ATOM 0 H LYS A 78 -9.061 -1.821 5.792 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.157 -4.407 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.898 -1.551 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.196 -2.729 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.004 -4.036 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.697 -2.869 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.716 -1.133 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.507 -2.562 9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.494 -2.954 11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.812 -1.447 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.000 -1.133 12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.769 -0.277 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.430 -1.737 11.891 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.044 -2.900 3.710 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.743 -3.084 2.450 1.00 0.00 C ATOM 1145 C LEU A 79 -11.147 -4.285 1.712 1.00 0.00 C ATOM 1146 O LEU A 79 -11.809 -4.893 0.872 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.726 -1.790 1.634 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.086 -1.286 1.147 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.366 0.125 1.670 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.186 -1.363 -0.378 1.00 0.00 C ATOM 0 H LEU A 79 -10.490 -2.046 3.770 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.795 -3.308 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.267 -1.008 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.084 -1.940 0.766 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.858 -1.939 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.339 0.460 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.366 0.116 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.593 0.805 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.162 -0.999 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.405 -0.748 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.062 -2.397 -0.699 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.904 -4.590 2.052 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.211 -5.707 1.432 1.00 0.00 C ATOM 1164 C LEU A 80 -9.472 -6.977 2.244 1.00 0.00 C ATOM 1165 O LEU A 80 -9.802 -8.021 1.682 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.726 -5.385 1.254 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.308 -4.897 -0.135 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.827 -4.513 -0.158 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.648 -5.935 -1.206 1.00 0.00 C ATOM 0 H LEU A 80 -9.358 -4.083 2.749 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.597 -5.885 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.450 -4.624 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.149 -6.279 1.492 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.878 -3.997 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.556 -4.170 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.647 -3.714 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.222 -5.381 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.341 -5.563 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.123 -6.866 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.723 -6.117 -1.208 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.314 -6.847 3.553 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.528 -7.972 4.448 1.00 0.00 C ATOM 1183 C LYS A 81 -10.954 -8.496 4.269 1.00 0.00 C ATOM 1184 O LYS A 81 -11.163 -9.699 4.121 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.192 -7.581 5.888 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.678 -7.515 6.100 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.333 -6.674 7.330 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.917 -6.103 7.224 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.101 -6.520 8.386 1.00 0.00 N ATOM 0 H LYS A 81 -9.040 -5.980 4.015 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.854 -8.792 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.638 -6.613 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.628 -8.305 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.280 -8.522 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.202 -7.088 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.051 -5.860 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.416 -7.286 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.449 -6.446 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.960 -5.015 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.143 -6.124 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.541 -6.172 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.045 -7.558 8.416 1.00 0.00 H new ATOM 1203 N SER A 82 -11.899 -7.567 4.290 1.00 0.00 N ATOM 1204 CA SER A 82 -13.299 -7.920 4.133 1.00 0.00 C ATOM 1205 C SER A 82 -13.468 -8.877 2.951 1.00 0.00 C ATOM 1206 O SER A 82 -14.266 -9.811 3.012 1.00 0.00 O ATOM 1207 CB SER A 82 -14.163 -6.673 3.934 1.00 0.00 C ATOM 1208 OG SER A 82 -15.555 -6.971 4.000 1.00 0.00 O ATOM 0 H SER A 82 -11.722 -6.570 4.413 1.00 0.00 H new ATOM 0 HA SER A 82 -13.631 -8.417 5.045 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.914 -5.934 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.934 -6.224 2.968 1.00 0.00 H new ATOM 0 HG SER A 82 -16.072 -6.149 3.870 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.704 -8.610 1.901 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.759 -9.436 0.707 1.00 0.00 C ATOM 1216 C PHE A 83 -11.678 -10.519 0.739 1.00 0.00 C ATOM 1217 O PHE A 83 -11.060 -10.814 -0.283 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.504 -8.513 -0.487 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.550 -7.409 -0.654 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.859 -7.666 -0.390 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.170 -6.169 -1.066 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.829 -6.641 -0.544 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.141 -5.145 -1.221 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.450 -5.402 -0.957 1.00 0.00 C ATOM 0 H PHE A 83 -12.044 -7.834 1.853 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.728 -9.930 0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.521 -8.055 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.475 -9.112 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.161 -8.650 -0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.130 -5.964 -1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.868 -6.845 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.840 -4.161 -1.549 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.188 -4.623 -1.075 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.484 -11.081 1.923 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.489 -12.125 2.101 1.00 0.00 C ATOM 1236 C GLY A 84 -10.912 -13.413 1.392 1.00 0.00 C ATOM 1237 O GLY A 84 -12.035 -13.884 1.570 1.00 0.00 O ATOM 0 H GLY A 84 -11.999 -10.833 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.529 -11.788 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.348 -12.320 3.164 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.991 -13.947 0.603 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.255 -15.171 -0.134 1.00 0.00 C ATOM 1243 C GLY A 85 -11.409 -14.979 -1.120 1.00 0.00 C ATOM 1244 O GLY A 85 -12.177 -15.907 -1.369 1.00 0.00 O ATOM 0 H GLY A 85 -9.061 -13.554 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.358 -15.476 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.497 -15.974 0.562 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.493 -13.770 -1.655 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.540 -13.445 -2.609 1.00 0.00 C ATOM 1250 C GLU A 86 -11.965 -12.634 -3.772 1.00 0.00 C ATOM 1251 O GLU A 86 -11.406 -11.558 -3.567 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.686 -12.694 -1.930 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.324 -13.544 -0.830 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.851 -13.457 -0.885 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.405 -13.868 -1.927 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.428 -12.982 0.117 1.00 0.00 O ATOM 0 H GLU A 86 -10.853 -13.004 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.945 -14.376 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.313 -11.762 -1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.440 -12.427 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.011 -14.582 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.972 -13.207 0.145 1.00 0.00 H new ATOM 1263 N GLU A 87 -12.124 -13.181 -4.968 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.627 -12.522 -6.164 1.00 0.00 C ATOM 1265 C GLU A 87 -12.233 -11.122 -6.289 1.00 0.00 C ATOM 1266 O GLU A 87 -13.437 -10.979 -6.496 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.918 -13.358 -7.412 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.716 -13.368 -8.358 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.825 -14.509 -9.372 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.652 -15.670 -8.940 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -11.080 -14.195 -10.554 1.00 0.00 O ATOM 0 H GLU A 87 -12.590 -14.073 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.545 -12.423 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.164 -14.379 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.789 -12.955 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.654 -12.415 -8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.797 -13.475 -7.782 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.370 -10.125 -6.157 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.805 -8.742 -6.251 1.00 0.00 C ATOM 1280 C VAL A 88 -11.090 -8.067 -7.424 1.00 0.00 C ATOM 1281 O VAL A 88 -10.259 -8.684 -8.088 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.573 -8.028 -4.918 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.130 -8.848 -3.753 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.089 -7.720 -4.712 1.00 0.00 C ATOM 0 H VAL A 88 -10.372 -10.248 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.876 -8.690 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.110 -7.080 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.952 -8.318 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.202 -8.993 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.634 -9.818 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.952 -7.212 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.521 -8.650 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.735 -7.078 -5.518 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.440 -6.807 -7.642 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.842 -6.042 -8.723 1.00 0.00 C ATOM 1296 C GLU A 89 -10.259 -4.733 -8.186 1.00 0.00 C ATOM 1297 O GLU A 89 -10.986 -3.759 -7.991 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.859 -5.774 -9.833 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.166 -5.280 -11.105 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.094 -5.395 -12.316 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.291 -5.076 -12.146 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -11.586 -5.800 -13.383 1.00 0.00 O ATOM 0 H GLU A 89 -12.129 -6.298 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.031 -6.630 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.416 -6.686 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.582 -5.031 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.858 -4.242 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.261 -5.862 -11.280 1.00 0.00 H new ATOM 1309 N MET A 90 -8.953 -4.751 -7.962 1.00 0.00 N ATOM 1310 CA MET A 90 -8.265 -3.578 -7.452 1.00 0.00 C ATOM 1311 C MET A 90 -7.643 -2.768 -8.592 1.00 0.00 C ATOM 1312 O MET A 90 -6.898 -3.309 -9.408 1.00 0.00 O ATOM 1313 CB MET A 90 -7.169 -4.012 -6.477 1.00 0.00 C ATOM 1314 CG MET A 90 -6.406 -2.802 -5.935 1.00 0.00 C ATOM 1315 SD MET A 90 -5.236 -3.325 -4.691 1.00 0.00 S ATOM 1316 CE MET A 90 -4.324 -4.547 -5.618 1.00 0.00 C ATOM 0 H MET A 90 -8.353 -5.560 -8.125 1.00 0.00 H new ATOM 0 HA MET A 90 -8.992 -2.949 -6.938 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.612 -4.567 -5.650 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.477 -4.687 -6.980 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.884 -2.297 -6.748 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.105 -2.082 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.455 -5.526 -5.157 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.694 -4.577 -6.643 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.266 -4.286 -5.621 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.971 -1.485 -8.611 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.454 -0.595 -9.637 1.00 0.00 C ATOM 1328 C LYS A 91 -6.385 0.313 -9.027 1.00 0.00 C ATOM 1329 O LYS A 91 -6.523 0.765 -7.892 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.597 0.167 -10.311 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.510 -0.786 -11.085 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.644 -0.021 -11.772 1.00 0.00 C ATOM 1333 CE LYS A 91 -10.287 0.300 -13.224 1.00 0.00 C ATOM 1334 NZ LYS A 91 -11.507 0.333 -14.062 1.00 0.00 N ATOM 0 H LYS A 91 -8.589 -1.040 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.972 -1.167 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.177 0.701 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.189 0.916 -10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.928 -1.328 -11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.927 -1.529 -10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.558 -0.614 -11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.845 0.903 -11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.777 1.262 -13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.594 -0.449 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.247 0.552 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.978 -0.594 -14.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.154 1.064 -13.704 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.342 0.552 -9.808 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.249 1.398 -9.359 1.00 0.00 C ATOM 1350 C VAL A 92 -3.845 2.346 -10.490 1.00 0.00 C ATOM 1351 O VAL A 92 -4.090 2.060 -11.661 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.089 0.534 -8.861 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.427 -0.116 -7.518 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.705 -0.521 -9.900 1.00 0.00 C ATOM 0 H VAL A 92 -5.230 0.175 -10.749 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.564 2.013 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.227 1.184 -8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.586 -0.725 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.628 0.659 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.309 -0.747 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.878 -1.121 -9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.561 -1.166 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.402 -0.028 -10.824 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.234 3.455 -10.100 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.794 4.447 -11.067 1.00 0.00 C ATOM 1366 C VAL A 93 -1.334 4.809 -10.791 1.00 0.00 C ATOM 1367 O VAL A 93 -0.791 4.460 -9.743 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.727 5.659 -11.035 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.045 5.355 -11.751 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -3.978 6.120 -9.598 1.00 0.00 C ATOM 0 H VAL A 93 -3.033 3.689 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.843 4.043 -12.078 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.236 6.474 -11.567 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.690 6.233 -11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.843 5.097 -12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.542 4.519 -11.259 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.644 6.983 -9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.438 5.310 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.031 6.396 -9.134 1.00 0.00 H new ATOM 1380 N SER A 94 -0.739 5.505 -11.748 1.00 0.00 N ATOM 1381 CA SER A 94 0.649 5.919 -11.621 1.00 0.00 C ATOM 1382 C SER A 94 0.724 7.426 -11.368 1.00 0.00 C ATOM 1383 O SER A 94 0.078 8.208 -12.063 1.00 0.00 O ATOM 1384 CB SER A 94 1.450 5.549 -12.871 1.00 0.00 C ATOM 1385 OG SER A 94 0.854 4.472 -13.589 1.00 0.00 O ATOM 0 H SER A 94 -1.192 5.793 -12.615 1.00 0.00 H new ATOM 0 HA SER A 94 1.087 5.393 -10.773 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.528 6.420 -13.522 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.465 5.275 -12.583 1.00 0.00 H new ATOM 0 HG SER A 94 1.395 4.268 -14.380 1.00 0.00 H new ATOM 1391 N LEU A 95 1.519 7.787 -10.372 1.00 0.00 N ATOM 1392 CA LEU A 95 1.687 9.186 -10.019 1.00 0.00 C ATOM 1393 C LEU A 95 2.694 9.831 -10.974 1.00 0.00 C ATOM 1394 O LEU A 95 3.834 9.381 -11.076 1.00 0.00 O ATOM 1395 CB LEU A 95 2.065 9.325 -8.542 1.00 0.00 C ATOM 1396 CG LEU A 95 2.578 10.699 -8.107 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.637 11.809 -8.578 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.808 10.745 -6.595 1.00 0.00 C ATOM 0 H LEU A 95 2.054 7.135 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 95 0.746 9.724 -10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.191 9.078 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.831 8.584 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 95 3.543 10.871 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.024 12.776 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.568 11.790 -9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.647 11.654 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.172 11.733 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.870 10.543 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.546 9.993 -6.316 1.00 0.00 H new ATOM 1410 N LEU A 96 2.235 10.875 -11.649 1.00 0.00 N ATOM 1411 CA LEU A 96 3.081 11.587 -12.592 1.00 0.00 C ATOM 1412 C LEU A 96 3.311 13.013 -12.089 1.00 0.00 C ATOM 1413 O LEU A 96 2.356 13.752 -11.851 1.00 0.00 O ATOM 1414 CB LEU A 96 2.487 11.519 -14.001 1.00 0.00 C ATOM 1415 CG LEU A 96 1.862 10.181 -14.401 1.00 0.00 C ATOM 1416 CD1 LEU A 96 0.618 10.395 -15.266 1.00 0.00 C ATOM 1417 CD2 LEU A 96 2.889 9.279 -15.088 1.00 0.00 C ATOM 0 H LEU A 96 1.288 11.245 -11.562 1.00 0.00 H new ATOM 0 HA LEU A 96 4.060 11.112 -12.660 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.726 12.294 -14.091 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.273 11.759 -14.717 1.00 0.00 H new ATOM 0 HG LEU A 96 1.540 9.669 -13.494 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.193 9.429 -15.537 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.119 10.972 -14.707 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.893 10.937 -16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.418 8.335 -15.362 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.263 9.772 -15.985 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.718 9.087 -14.407 1.00 0.00 H new