USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HE2:sc= -0.307 K(o=-0.31,f=-4.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0726 K(o=-0.073,f=-4!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.462 K(o=0.46,f=-7.3!) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= -1.02 (180deg=-1.07) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 26:sc= 1.19 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 139:sc= -1.54 (180deg=-3.36!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -174:sc= -1.49 (180deg=-1.57) USER MOD Single : A 60 THR OG1 : rot -84:sc= 0.307 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -171:sc= -1.1 USER MOD Single : A 70 THR OG1 : rot -71:sc= 0.299 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0098) USER MOD Single : A 76 SER OG : rot -65:sc= 0.13 USER MOD Single : A 80 THR OG1 : rot -77:sc= 0.398 USER MOD Single : A 83 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-8.1!) USER MOD Single : A 94 ASN :FLIP amide:sc= -4.07! C(o=-4.6!,f=-4.1!) USER MOD Single : A 99 GLN : amide:sc= -1.45! C(o=-1.4!,f=-1.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.1!) USER MOD Single : A 113 SER OG : rot -61:sc= 0.361 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= -1.94 USER MOD Single : A 126 SER OG : rot -15:sc= 0.455 USER MOD ----------------------------------------------------------------- ATOM 156 N HIS A 14 -14.359 1.153 -16.271 1.00 0.00 N ATOM 157 CA HIS A 14 -12.973 0.718 -16.252 1.00 0.00 C ATOM 158 C HIS A 14 -12.375 0.972 -14.867 1.00 0.00 C ATOM 159 O HIS A 14 -12.282 2.116 -14.426 1.00 0.00 O ATOM 160 CB HIS A 14 -12.178 1.390 -17.373 1.00 0.00 C ATOM 161 CG HIS A 14 -12.439 2.871 -17.510 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.115 3.784 -16.521 1.00 0.00 N ATOM 163 CD2 HIS A 14 -12.995 3.587 -18.528 1.00 0.00 C ATOM 164 CE1 HIS A 14 -12.465 4.992 -16.937 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.012 4.868 -18.180 1.00 0.00 N ATOM 0 HA HIS A 14 -12.921 -0.354 -16.441 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.114 1.234 -17.193 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -12.417 0.901 -18.317 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.681 3.564 -15.625 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.360 3.181 -19.460 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.339 5.914 -16.388 1.00 0.00 H new ATOM 173 N PRO A 15 -11.973 -0.144 -14.201 1.00 0.00 N ATOM 174 CA PRO A 15 -11.386 -0.055 -12.875 1.00 0.00 C ATOM 175 C PRO A 15 -9.948 0.462 -12.946 1.00 0.00 C ATOM 176 O PRO A 15 -9.478 1.130 -12.026 1.00 0.00 O ATOM 177 CB PRO A 15 -11.485 -1.460 -12.305 1.00 0.00 C ATOM 178 CG PRO A 15 -11.695 -2.380 -13.498 1.00 0.00 C ATOM 179 CD PRO A 15 -12.067 -1.516 -14.692 1.00 0.00 C ATOM 0 HA PRO A 15 -11.904 0.658 -12.233 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.578 -1.726 -11.762 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.313 -1.538 -11.601 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.789 -2.949 -13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.484 -3.103 -13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.389 -1.684 -15.529 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.073 -1.742 -15.046 1.00 0.00 H new ATOM 187 N VAL A 16 -9.289 0.134 -14.048 1.00 0.00 N ATOM 188 CA VAL A 16 -7.914 0.557 -14.251 1.00 0.00 C ATOM 189 C VAL A 16 -7.872 1.642 -15.329 1.00 0.00 C ATOM 190 O VAL A 16 -8.668 1.622 -16.266 1.00 0.00 O ATOM 191 CB VAL A 16 -7.038 -0.652 -14.586 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.449 -1.872 -13.759 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.084 -0.964 -16.083 1.00 0.00 C ATOM 0 H VAL A 16 -9.682 -0.420 -14.809 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.510 0.991 -13.337 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.009 -0.403 -14.327 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.811 -2.718 -14.016 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.341 -1.646 -12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.488 -2.123 -13.973 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.453 -1.827 -16.294 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.110 -1.184 -16.377 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.722 -0.103 -16.645 1.00 0.00 H new ATOM 203 N THR A 17 -6.936 2.564 -15.159 1.00 0.00 N ATOM 204 CA THR A 17 -6.780 3.656 -16.106 1.00 0.00 C ATOM 205 C THR A 17 -5.327 4.134 -16.134 1.00 0.00 C ATOM 206 O THR A 17 -4.762 4.477 -15.096 1.00 0.00 O ATOM 207 CB THR A 17 -7.775 4.755 -15.728 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.004 4.552 -14.337 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.149 4.546 -16.367 1.00 0.00 C ATOM 0 H THR A 17 -6.278 2.578 -14.380 1.00 0.00 H new ATOM 0 HA THR A 17 -7.002 3.333 -17.123 1.00 0.00 H new ATOM 0 HB THR A 17 -7.378 5.724 -16.031 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.637 5.224 -14.008 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.817 5.353 -16.066 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.049 4.543 -17.452 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.562 3.592 -16.038 1.00 0.00 H new ATOM 217 N TRP A 18 -4.763 4.143 -17.333 1.00 0.00 N ATOM 218 CA TRP A 18 -3.387 4.574 -17.509 1.00 0.00 C ATOM 219 C TRP A 18 -3.399 5.883 -18.301 1.00 0.00 C ATOM 220 O TRP A 18 -3.705 5.890 -19.492 1.00 0.00 O ATOM 221 CB TRP A 18 -2.551 3.480 -18.177 1.00 0.00 C ATOM 222 CG TRP A 18 -2.321 2.249 -17.298 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.058 1.131 -17.234 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.247 2.054 -16.354 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.540 0.235 -16.322 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.403 0.814 -15.770 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.178 2.899 -16.006 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.528 0.306 -14.803 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.688 2.377 -15.037 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.544 1.130 -14.440 1.00 0.00 C ATOM 0 H TRP A 18 -5.234 3.859 -18.192 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.913 4.755 -16.544 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.046 3.169 -19.097 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.585 3.897 -18.460 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.946 0.954 -17.823 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.921 -0.683 -16.094 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.036 3.873 -16.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.672 -0.669 -14.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.526 2.986 -14.732 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.256 0.798 -13.699 1.00 0.00 H new ATOM 241 N GLN A 19 -3.064 6.960 -17.606 1.00 0.00 N ATOM 242 CA GLN A 19 -3.032 8.273 -18.229 1.00 0.00 C ATOM 243 C GLN A 19 -1.767 9.027 -17.815 1.00 0.00 C ATOM 244 O GLN A 19 -1.247 8.819 -16.720 1.00 0.00 O ATOM 245 CB GLN A 19 -4.288 9.075 -17.881 1.00 0.00 C ATOM 246 CG GLN A 19 -5.534 8.438 -18.499 1.00 0.00 C ATOM 247 CD GLN A 19 -5.752 8.936 -19.930 1.00 0.00 C ATOM 248 OE1 GLN A 19 -4.822 9.128 -20.696 1.00 0.00 O ATOM 249 NE2 GLN A 19 -7.029 9.133 -20.245 1.00 0.00 N ATOM 0 H GLN A 19 -2.812 6.951 -16.618 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.014 8.140 -19.311 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.401 9.128 -16.798 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.182 10.098 -18.241 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.430 7.353 -18.500 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.407 8.674 -17.891 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.758 8.952 -19.555 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.279 9.465 -21.177 1.00 0.00 H new ATOM 258 N PRO A 20 -1.297 9.910 -18.736 1.00 0.00 N ATOM 259 CA PRO A 20 -0.103 10.696 -18.477 1.00 0.00 C ATOM 260 C PRO A 20 -0.395 11.828 -17.491 1.00 0.00 C ATOM 261 O PRO A 20 -1.542 12.246 -17.342 1.00 0.00 O ATOM 262 CB PRO A 20 0.342 11.197 -19.842 1.00 0.00 C ATOM 263 CG PRO A 20 -0.870 11.063 -20.750 1.00 0.00 C ATOM 264 CD PRO A 20 -1.887 10.182 -20.044 1.00 0.00 C ATOM 0 HA PRO A 20 0.688 10.115 -18.003 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.677 12.233 -19.788 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.180 10.610 -20.219 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.297 12.043 -20.964 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.584 10.625 -21.706 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.849 10.686 -19.948 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.065 9.260 -20.598 1.00 0.00 H new ATOM 272 N SER A 21 0.663 12.293 -16.842 1.00 0.00 N ATOM 273 CA SER A 21 0.535 13.369 -15.874 1.00 0.00 C ATOM 274 C SER A 21 0.225 14.684 -16.592 1.00 0.00 C ATOM 275 O SER A 21 0.114 14.716 -17.816 1.00 0.00 O ATOM 276 CB SER A 21 1.806 13.509 -15.034 1.00 0.00 C ATOM 277 OG SER A 21 2.686 14.499 -15.559 1.00 0.00 O ATOM 0 H SER A 21 1.613 11.944 -16.968 1.00 0.00 H new ATOM 0 HA SER A 21 -0.287 13.127 -15.201 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.537 13.769 -14.010 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.322 12.550 -14.994 1.00 0.00 H new ATOM 0 HG SER A 21 3.485 14.560 -14.994 1.00 0.00 H new ATOM 283 N LYS A 22 0.095 15.737 -15.799 1.00 0.00 N ATOM 284 CA LYS A 22 -0.200 17.052 -16.343 1.00 0.00 C ATOM 285 C LYS A 22 0.817 17.386 -17.437 1.00 0.00 C ATOM 286 O LYS A 22 0.449 17.887 -18.498 1.00 0.00 O ATOM 287 CB LYS A 22 -0.263 18.093 -15.224 1.00 0.00 C ATOM 288 CG LYS A 22 -1.631 18.778 -15.188 1.00 0.00 C ATOM 289 CD LYS A 22 -1.604 20.098 -15.961 1.00 0.00 C ATOM 290 CE LYS A 22 -2.154 21.243 -15.109 1.00 0.00 C ATOM 291 NZ LYS A 22 -1.079 22.204 -14.775 1.00 0.00 N ATOM 0 H LYS A 22 0.189 15.707 -14.784 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.185 17.059 -16.809 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.067 17.613 -14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.517 18.839 -15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.384 18.117 -15.617 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.921 18.964 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.582 20.325 -16.265 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.194 20.002 -16.872 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.952 21.754 -15.648 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.591 20.845 -14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.470 22.975 -14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.331 21.716 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.680 22.597 -15.651 1.00 0.00 H new ATOM 305 N ASP A 23 2.075 17.095 -17.140 1.00 0.00 N ATOM 306 CA ASP A 23 3.147 17.358 -18.084 1.00 0.00 C ATOM 307 C ASP A 23 3.044 16.375 -19.253 1.00 0.00 C ATOM 308 O ASP A 23 2.726 16.770 -20.374 1.00 0.00 O ATOM 309 CB ASP A 23 4.517 17.171 -17.429 1.00 0.00 C ATOM 310 CG ASP A 23 5.504 18.318 -17.656 1.00 0.00 C ATOM 311 OD1 ASP A 23 6.075 18.364 -18.767 1.00 0.00 O ATOM 312 OD2 ASP A 23 5.665 19.123 -16.713 1.00 0.00 O ATOM 0 H ASP A 23 2.376 16.679 -16.258 1.00 0.00 H new ATOM 0 HA ASP A 23 3.049 18.388 -18.427 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.375 17.040 -16.356 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.961 16.250 -17.806 1.00 0.00 H new ATOM 317 N GLY A 24 3.318 15.115 -18.950 1.00 0.00 N ATOM 318 CA GLY A 24 3.260 14.073 -19.961 1.00 0.00 C ATOM 319 C GLY A 24 4.501 13.180 -19.899 1.00 0.00 C ATOM 320 O GLY A 24 4.475 12.042 -20.367 1.00 0.00 O ATOM 0 H GLY A 24 3.581 14.792 -18.019 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.365 13.469 -19.815 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.181 14.525 -20.950 1.00 0.00 H new ATOM 324 N ASP A 25 5.557 13.728 -19.318 1.00 0.00 N ATOM 325 CA ASP A 25 6.805 12.995 -19.189 1.00 0.00 C ATOM 326 C ASP A 25 6.596 11.800 -18.257 1.00 0.00 C ATOM 327 O ASP A 25 7.341 10.823 -18.317 1.00 0.00 O ATOM 328 CB ASP A 25 7.902 13.877 -18.589 1.00 0.00 C ATOM 329 CG ASP A 25 8.169 15.181 -19.343 1.00 0.00 C ATOM 330 OD1 ASP A 25 7.172 15.855 -19.682 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.363 15.475 -19.565 1.00 0.00 O ATOM 0 H ASP A 25 5.575 14.672 -18.931 1.00 0.00 H new ATOM 0 HA ASP A 25 7.109 12.668 -20.184 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.631 14.118 -17.561 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.827 13.302 -18.548 1.00 0.00 H new ATOM 336 N ARG A 26 5.579 11.918 -17.416 1.00 0.00 N ATOM 337 CA ARG A 26 5.262 10.860 -16.472 1.00 0.00 C ATOM 338 C ARG A 26 3.932 10.200 -16.841 1.00 0.00 C ATOM 339 O ARG A 26 3.065 10.835 -17.440 1.00 0.00 O ATOM 340 CB ARG A 26 5.176 11.403 -15.044 1.00 0.00 C ATOM 341 CG ARG A 26 6.569 11.557 -14.431 1.00 0.00 C ATOM 342 CD ARG A 26 6.970 10.299 -13.658 1.00 0.00 C ATOM 343 NE ARG A 26 8.426 10.069 -13.785 1.00 0.00 N ATOM 344 CZ ARG A 26 9.118 9.201 -13.035 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.491 8.475 -12.099 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.438 9.058 -13.220 1.00 0.00 N ATOM 0 H ARG A 26 4.964 12.730 -17.369 1.00 0.00 H new ATOM 0 HA ARG A 26 6.063 10.122 -16.520 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.668 12.367 -15.048 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.577 10.730 -14.431 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.297 11.752 -15.218 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.583 12.418 -13.763 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.701 10.407 -12.607 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.423 9.437 -14.040 1.00 0.00 H new ATOM 0 HE ARG A 26 8.935 10.605 -14.488 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.487 8.583 -11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.018 7.814 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.916 9.610 -13.932 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.964 8.397 -12.649 1.00 0.00 H new ATOM 360 N LEU A 27 3.812 8.934 -16.467 1.00 0.00 N ATOM 361 CA LEU A 27 2.602 8.182 -16.751 1.00 0.00 C ATOM 362 C LEU A 27 1.930 7.788 -15.434 1.00 0.00 C ATOM 363 O LEU A 27 2.472 6.989 -14.672 1.00 0.00 O ATOM 364 CB LEU A 27 2.912 6.993 -17.663 1.00 0.00 C ATOM 365 CG LEU A 27 1.894 6.712 -18.770 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.527 7.305 -18.420 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.405 7.209 -20.124 1.00 0.00 C ATOM 0 H LEU A 27 4.533 8.411 -15.970 1.00 0.00 H new ATOM 0 HA LEU A 27 1.890 8.799 -17.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.885 7.160 -18.125 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.002 6.100 -17.044 1.00 0.00 H new ATOM 0 HG LEU A 27 1.766 5.633 -18.851 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.179 7.091 -19.223 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.165 6.863 -17.492 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.619 8.384 -18.296 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.662 6.997 -20.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.580 8.284 -20.075 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.337 6.701 -20.370 1.00 0.00 H new ATOM 379 N ILE A 28 0.761 8.368 -15.207 1.00 0.00 N ATOM 380 CA ILE A 28 0.009 8.088 -13.995 1.00 0.00 C ATOM 381 C ILE A 28 -1.013 6.985 -14.278 1.00 0.00 C ATOM 382 O ILE A 28 -1.886 7.146 -15.129 1.00 0.00 O ATOM 383 CB ILE A 28 -0.609 9.372 -13.440 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.393 10.527 -13.484 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.164 9.148 -12.031 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.608 10.234 -12.602 1.00 0.00 C ATOM 0 H ILE A 28 0.316 9.031 -15.842 1.00 0.00 H new ATOM 0 HA ILE A 28 0.671 7.717 -13.213 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.448 9.650 -14.077 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.717 10.693 -14.511 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.090 11.445 -13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.598 10.076 -11.659 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.932 8.375 -12.061 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.358 8.833 -11.368 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.304 11.071 -12.652 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.284 10.093 -11.571 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.103 9.329 -12.954 1.00 0.00 H new ATOM 398 N GLY A 29 -0.870 5.889 -13.547 1.00 0.00 N ATOM 399 CA GLY A 29 -1.770 4.759 -13.708 1.00 0.00 C ATOM 400 C GLY A 29 -2.625 4.557 -12.456 1.00 0.00 C ATOM 401 O GLY A 29 -2.105 4.536 -11.341 1.00 0.00 O ATOM 0 H GLY A 29 -0.145 5.759 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.415 4.924 -14.571 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.193 3.856 -13.909 1.00 0.00 H new ATOM 405 N ARG A 30 -3.922 4.412 -12.681 1.00 0.00 N ATOM 406 CA ARG A 30 -4.855 4.211 -11.585 1.00 0.00 C ATOM 407 C ARG A 30 -5.554 2.857 -11.723 1.00 0.00 C ATOM 408 O ARG A 30 -6.336 2.651 -12.650 1.00 0.00 O ATOM 409 CB ARG A 30 -5.908 5.320 -11.548 1.00 0.00 C ATOM 410 CG ARG A 30 -5.854 6.084 -10.223 1.00 0.00 C ATOM 411 CD ARG A 30 -6.604 7.414 -10.326 1.00 0.00 C ATOM 412 NE ARG A 30 -8.064 7.173 -10.323 1.00 0.00 N ATOM 413 CZ ARG A 30 -8.973 8.065 -10.740 1.00 0.00 C ATOM 414 NH1 ARG A 30 -8.578 9.262 -11.195 1.00 0.00 N ATOM 415 NH2 ARG A 30 -10.277 7.760 -10.702 1.00 0.00 N ATOM 0 H ARG A 30 -4.350 4.430 -13.607 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.285 4.236 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.744 6.009 -12.376 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.900 4.889 -11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.291 5.476 -9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.816 6.268 -9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.332 8.060 -9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.315 7.934 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.399 6.272 -9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.585 9.494 -11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.270 9.941 -11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.578 6.849 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.969 8.439 -11.019 1.00 0.00 H new ATOM 429 N ILE A 31 -5.247 1.970 -10.788 1.00 0.00 N ATOM 430 CA ILE A 31 -5.836 0.642 -10.794 1.00 0.00 C ATOM 431 C ILE A 31 -6.921 0.565 -9.719 1.00 0.00 C ATOM 432 O ILE A 31 -6.903 1.332 -8.757 1.00 0.00 O ATOM 433 CB ILE A 31 -4.750 -0.426 -10.650 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.975 -0.600 -11.957 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.343 -1.747 -10.155 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.579 0.019 -11.853 1.00 0.00 C ATOM 0 H ILE A 31 -4.598 2.145 -10.021 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.320 0.444 -11.750 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.038 -0.090 -9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.890 -1.660 -12.195 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.524 -0.133 -12.775 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.550 -2.489 -10.061 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.813 -1.593 -9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.089 -2.101 -10.867 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.049 -0.118 -12.795 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.668 1.084 -11.639 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.024 -0.467 -11.051 1.00 0.00 H new ATOM 448 N LEU A 32 -7.842 -0.367 -9.917 1.00 0.00 N ATOM 449 CA LEU A 32 -8.933 -0.554 -8.976 1.00 0.00 C ATOM 450 C LEU A 32 -9.222 -2.049 -8.827 1.00 0.00 C ATOM 451 O LEU A 32 -9.147 -2.799 -9.799 1.00 0.00 O ATOM 452 CB LEU A 32 -10.152 0.269 -9.399 1.00 0.00 C ATOM 453 CG LEU A 32 -11.389 0.141 -8.508 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.094 -1.197 -8.737 1.00 0.00 C ATOM 455 CD2 LEU A 32 -11.029 0.355 -7.036 1.00 0.00 C ATOM 0 H LEU A 32 -7.855 -1.001 -10.716 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.653 -0.183 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.862 1.319 -9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.427 -0.021 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.092 0.926 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.970 -1.262 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.405 -1.271 -9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.410 -2.013 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.926 0.259 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.298 -0.392 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.606 1.351 -6.906 1.00 0.00 H new ATOM 467 N LEU A 33 -9.546 -2.437 -7.603 1.00 0.00 N ATOM 468 CA LEU A 33 -9.846 -3.829 -7.314 1.00 0.00 C ATOM 469 C LEU A 33 -11.120 -3.907 -6.470 1.00 0.00 C ATOM 470 O LEU A 33 -11.336 -3.077 -5.588 1.00 0.00 O ATOM 471 CB LEU A 33 -8.639 -4.516 -6.671 1.00 0.00 C ATOM 472 CG LEU A 33 -7.301 -4.329 -7.388 1.00 0.00 C ATOM 473 CD1 LEU A 33 -6.135 -4.406 -6.401 1.00 0.00 C ATOM 474 CD2 LEU A 33 -7.149 -5.331 -8.535 1.00 0.00 C ATOM 0 H LEU A 33 -9.607 -1.812 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.040 -4.376 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.537 -4.147 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.847 -5.584 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.285 -3.332 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.195 -4.270 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.241 -3.623 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.136 -5.380 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.189 -5.177 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.195 -6.346 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.954 -5.185 -9.255 1.00 0.00 H new ATOM 486 N ASN A 34 -11.929 -4.912 -6.769 1.00 0.00 N ATOM 487 CA ASN A 34 -13.176 -5.109 -6.048 1.00 0.00 C ATOM 488 C ASN A 34 -13.181 -6.504 -5.419 1.00 0.00 C ATOM 489 O ASN A 34 -12.684 -7.459 -6.014 1.00 0.00 O ATOM 490 CB ASN A 34 -14.378 -5.011 -6.990 1.00 0.00 C ATOM 491 CG ASN A 34 -15.686 -4.923 -6.201 1.00 0.00 C ATOM 492 OD1 ASN A 34 -15.727 -4.484 -5.064 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.750 -5.364 -6.867 1.00 0.00 N ATOM 0 H ASN A 34 -11.746 -5.599 -7.500 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.251 -4.334 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.274 -4.133 -7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.403 -5.881 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.670 -5.347 -6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.646 -5.719 -7.817 1.00 0.00 H new ATOM 500 N LYS A 35 -13.748 -6.577 -4.223 1.00 0.00 N ATOM 501 CA LYS A 35 -13.824 -7.838 -3.507 1.00 0.00 C ATOM 502 C LYS A 35 -15.284 -8.289 -3.431 1.00 0.00 C ATOM 503 O LYS A 35 -15.565 -9.484 -3.349 1.00 0.00 O ATOM 504 CB LYS A 35 -13.145 -7.721 -2.141 1.00 0.00 C ATOM 505 CG LYS A 35 -11.819 -6.964 -2.251 1.00 0.00 C ATOM 506 CD LYS A 35 -11.405 -6.385 -0.897 1.00 0.00 C ATOM 507 CE LYS A 35 -10.376 -7.283 -0.208 1.00 0.00 C ATOM 508 NZ LYS A 35 -11.036 -8.470 0.381 1.00 0.00 N ATOM 0 H LYS A 35 -14.159 -5.783 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.277 -8.614 -4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.806 -7.204 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.967 -8.716 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.042 -7.635 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.915 -6.160 -2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.987 -5.388 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.283 -6.277 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.621 -7.599 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.859 -6.723 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.332 -9.043 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.775 -8.163 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.465 -9.040 -0.376 1.00 0.00 H new ATOM 522 N ARG A 36 -16.175 -7.309 -3.460 1.00 0.00 N ATOM 523 CA ARG A 36 -17.599 -7.590 -3.395 1.00 0.00 C ATOM 524 C ARG A 36 -17.970 -8.684 -4.398 1.00 0.00 C ATOM 525 O ARG A 36 -17.841 -8.493 -5.606 1.00 0.00 O ATOM 526 CB ARG A 36 -18.422 -6.335 -3.692 1.00 0.00 C ATOM 527 CG ARG A 36 -18.326 -5.331 -2.542 1.00 0.00 C ATOM 528 CD ARG A 36 -18.827 -3.952 -2.974 1.00 0.00 C ATOM 529 NE ARG A 36 -18.179 -3.552 -4.244 1.00 0.00 N ATOM 530 CZ ARG A 36 -18.655 -2.606 -5.065 1.00 0.00 C ATOM 531 NH1 ARG A 36 -19.786 -1.957 -4.755 1.00 0.00 N ATOM 532 NH2 ARG A 36 -18.000 -2.310 -6.196 1.00 0.00 N ATOM 0 H ARG A 36 -15.938 -6.319 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.825 -7.928 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.067 -5.873 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.464 -6.609 -3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -18.913 -5.686 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.292 -5.257 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.910 -3.972 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.610 -3.218 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.316 -4.026 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.284 -2.183 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.148 -1.237 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.140 -2.805 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.362 -1.590 -6.821 1.00 0.00 H new ATOM 546 N LEU A 37 -18.424 -9.807 -3.860 1.00 0.00 N ATOM 547 CA LEU A 37 -18.815 -10.931 -4.692 1.00 0.00 C ATOM 548 C LEU A 37 -19.810 -10.454 -5.752 1.00 0.00 C ATOM 549 O LEU A 37 -20.083 -9.260 -5.860 1.00 0.00 O ATOM 550 CB LEU A 37 -19.340 -12.080 -3.829 1.00 0.00 C ATOM 551 CG LEU A 37 -18.396 -12.582 -2.734 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.153 -12.826 -1.427 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.634 -13.826 -3.196 1.00 0.00 C ATOM 0 H LEU A 37 -18.530 -9.962 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.951 -11.331 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.271 -11.760 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.584 -12.917 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.657 -11.806 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.459 -13.182 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.612 -11.895 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.928 -13.575 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.970 -14.163 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.343 -14.618 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.046 -13.584 -4.081 1.00 0.00 H new ATOM 565 N LYS A 38 -20.325 -11.413 -6.509 1.00 0.00 N ATOM 566 CA LYS A 38 -21.283 -11.105 -7.556 1.00 0.00 C ATOM 567 C LYS A 38 -22.578 -10.593 -6.922 1.00 0.00 C ATOM 568 O LYS A 38 -23.226 -9.698 -7.462 1.00 0.00 O ATOM 569 CB LYS A 38 -21.483 -12.315 -8.471 1.00 0.00 C ATOM 570 CG LYS A 38 -21.165 -11.962 -9.925 1.00 0.00 C ATOM 571 CD LYS A 38 -19.794 -12.504 -10.334 1.00 0.00 C ATOM 572 CE LYS A 38 -18.766 -11.375 -10.434 1.00 0.00 C ATOM 573 NZ LYS A 38 -18.799 -10.762 -11.781 1.00 0.00 N ATOM 0 H LYS A 38 -20.096 -12.403 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.905 -10.308 -8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.842 -13.133 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.512 -12.667 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.933 -12.375 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.185 -10.880 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.459 -13.242 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.872 -13.015 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.974 -10.618 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.769 -11.764 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.095 -9.998 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.578 -11.484 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.746 -10.373 -11.962 1.00 0.00 H new ATOM 587 N ASP A 39 -22.917 -11.183 -5.785 1.00 0.00 N ATOM 588 CA ASP A 39 -24.123 -10.798 -5.072 1.00 0.00 C ATOM 589 C ASP A 39 -24.130 -9.280 -4.874 1.00 0.00 C ATOM 590 O ASP A 39 -25.120 -8.616 -5.175 1.00 0.00 O ATOM 591 CB ASP A 39 -24.180 -11.455 -3.692 1.00 0.00 C ATOM 592 CG ASP A 39 -25.561 -11.966 -3.276 1.00 0.00 C ATOM 593 OD1 ASP A 39 -25.926 -13.064 -3.748 1.00 0.00 O ATOM 594 OD2 ASP A 39 -26.220 -11.246 -2.495 1.00 0.00 O ATOM 0 H ASP A 39 -22.377 -11.925 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 39 -24.981 -11.121 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.480 -12.290 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -23.836 -10.735 -2.949 1.00 0.00 H new ATOM 599 N GLY A 40 -23.013 -8.776 -4.370 1.00 0.00 N ATOM 600 CA GLY A 40 -22.878 -7.350 -4.128 1.00 0.00 C ATOM 601 C GLY A 40 -22.361 -7.080 -2.714 1.00 0.00 C ATOM 602 O GLY A 40 -22.843 -6.175 -2.035 1.00 0.00 O ATOM 0 H GLY A 40 -22.193 -9.330 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -22.194 -6.917 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.843 -6.861 -4.266 1.00 0.00 H new ATOM 606 N SER A 41 -21.385 -7.882 -2.312 1.00 0.00 N ATOM 607 CA SER A 41 -20.797 -7.740 -0.991 1.00 0.00 C ATOM 608 C SER A 41 -19.596 -8.677 -0.850 1.00 0.00 C ATOM 609 O SER A 41 -19.658 -9.838 -1.255 1.00 0.00 O ATOM 610 CB SER A 41 -21.826 -8.029 0.104 1.00 0.00 C ATOM 611 OG SER A 41 -22.613 -6.881 0.413 1.00 0.00 O ATOM 0 H SER A 41 -20.987 -8.632 -2.878 1.00 0.00 H new ATOM 0 HA SER A 41 -20.462 -6.709 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.479 -8.841 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.313 -8.370 1.003 1.00 0.00 H new ATOM 0 HG SER A 41 -22.642 -6.285 -0.365 1.00 0.00 H new ATOM 617 N VAL A 42 -18.530 -8.139 -0.276 1.00 0.00 N ATOM 618 CA VAL A 42 -17.316 -8.913 -0.077 1.00 0.00 C ATOM 619 C VAL A 42 -17.402 -9.653 1.259 1.00 0.00 C ATOM 620 O VAL A 42 -17.944 -9.129 2.230 1.00 0.00 O ATOM 621 CB VAL A 42 -16.092 -8.000 -0.178 1.00 0.00 C ATOM 622 CG1 VAL A 42 -16.219 -6.806 0.770 1.00 0.00 C ATOM 623 CG2 VAL A 42 -14.803 -8.780 0.092 1.00 0.00 C ATOM 0 H VAL A 42 -18.482 -7.176 0.058 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.209 -9.665 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.044 -7.615 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.336 -6.173 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.107 -6.229 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.304 -7.164 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.948 -8.108 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.839 -9.207 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.703 -9.581 -0.640 1.00 0.00 H new ATOM 633 N PRO A 43 -16.843 -10.894 1.265 1.00 0.00 N ATOM 634 CA PRO A 43 -16.852 -11.712 2.466 1.00 0.00 C ATOM 635 C PRO A 43 -15.824 -11.206 3.481 1.00 0.00 C ATOM 636 O PRO A 43 -14.935 -10.429 3.135 1.00 0.00 O ATOM 637 CB PRO A 43 -16.563 -13.124 1.982 1.00 0.00 C ATOM 638 CG PRO A 43 -15.947 -12.973 0.600 1.00 0.00 C ATOM 639 CD PRO A 43 -16.192 -11.547 0.134 1.00 0.00 C ATOM 0 HA PRO A 43 -17.804 -11.673 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.881 -13.637 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -17.477 -13.717 1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.878 -13.186 0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.392 -13.684 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.258 -11.050 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.824 -11.524 -0.754 1.00 0.00 H new ATOM 647 N ARG A 44 -15.980 -11.668 4.713 1.00 0.00 N ATOM 648 CA ARG A 44 -15.077 -11.273 5.780 1.00 0.00 C ATOM 649 C ARG A 44 -13.647 -11.154 5.249 1.00 0.00 C ATOM 650 O ARG A 44 -12.978 -10.148 5.479 1.00 0.00 O ATOM 651 CB ARG A 44 -15.105 -12.284 6.928 1.00 0.00 C ATOM 652 CG ARG A 44 -15.817 -11.704 8.152 1.00 0.00 C ATOM 653 CD ARG A 44 -15.060 -12.044 9.438 1.00 0.00 C ATOM 654 NE ARG A 44 -15.826 -13.034 10.228 1.00 0.00 N ATOM 655 CZ ARG A 44 -15.381 -13.597 11.360 1.00 0.00 C ATOM 656 NH1 ARG A 44 -14.174 -13.272 11.841 1.00 0.00 N ATOM 657 NH2 ARG A 44 -16.145 -14.485 12.011 1.00 0.00 N ATOM 0 H ARG A 44 -16.718 -12.312 4.996 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.410 -10.305 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.612 -13.193 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.086 -12.565 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.901 -10.622 8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.832 -12.098 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.075 -12.443 9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.902 -11.140 10.027 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.750 -13.304 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.593 -12.596 11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.836 -13.701 12.703 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.064 -14.732 11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.807 -14.914 12.873 1.00 0.00 H new ATOM 671 N ASP A 45 -13.222 -12.195 4.548 1.00 0.00 N ATOM 672 CA ASP A 45 -11.884 -12.219 3.983 1.00 0.00 C ATOM 673 C ASP A 45 -11.927 -12.892 2.609 1.00 0.00 C ATOM 674 O ASP A 45 -12.336 -14.046 2.492 1.00 0.00 O ATOM 675 CB ASP A 45 -10.925 -13.017 4.869 1.00 0.00 C ATOM 676 CG ASP A 45 -11.527 -14.270 5.508 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.684 -15.265 4.767 1.00 0.00 O ATOM 678 OD2 ASP A 45 -11.816 -14.206 6.722 1.00 0.00 O ATOM 0 H ASP A 45 -13.780 -13.027 4.359 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.533 -11.190 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.062 -13.311 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.557 -12.364 5.661 1.00 0.00 H new ATOM 683 N SER A 46 -11.501 -12.142 1.604 1.00 0.00 N ATOM 684 CA SER A 46 -11.486 -12.651 0.243 1.00 0.00 C ATOM 685 C SER A 46 -10.090 -12.488 -0.361 1.00 0.00 C ATOM 686 O SER A 46 -9.373 -13.470 -0.548 1.00 0.00 O ATOM 687 CB SER A 46 -12.526 -11.937 -0.623 1.00 0.00 C ATOM 688 OG SER A 46 -12.642 -12.529 -1.914 1.00 0.00 O ATOM 0 H SER A 46 -11.163 -11.185 1.705 1.00 0.00 H new ATOM 0 HA SER A 46 -11.741 -13.710 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.494 -11.964 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.251 -10.888 -0.729 1.00 0.00 H new ATOM 0 HG SER A 46 -13.317 -12.046 -2.436 1.00 0.00 H new ATOM 694 N GLY A 47 -9.747 -11.242 -0.651 1.00 0.00 N ATOM 695 CA GLY A 47 -8.450 -10.938 -1.230 1.00 0.00 C ATOM 696 C GLY A 47 -7.813 -9.728 -0.545 1.00 0.00 C ATOM 697 O GLY A 47 -7.674 -8.667 -1.153 1.00 0.00 O ATOM 0 H GLY A 47 -10.345 -10.431 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.793 -11.802 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.561 -10.740 -2.296 1.00 0.00 H new ATOM 701 N ALA A 48 -7.442 -9.926 0.711 1.00 0.00 N ATOM 702 CA ALA A 48 -6.823 -8.864 1.486 1.00 0.00 C ATOM 703 C ALA A 48 -5.584 -8.355 0.746 1.00 0.00 C ATOM 704 O ALA A 48 -5.435 -7.153 0.532 1.00 0.00 O ATOM 705 CB ALA A 48 -6.493 -9.380 2.888 1.00 0.00 C ATOM 0 H ALA A 48 -7.558 -10.807 1.212 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.508 -8.024 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.029 -8.583 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.409 -9.703 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.805 -10.222 2.813 1.00 0.00 H new ATOM 711 N MET A 49 -4.727 -9.295 0.376 1.00 0.00 N ATOM 712 CA MET A 49 -3.506 -8.957 -0.336 1.00 0.00 C ATOM 713 C MET A 49 -3.774 -8.779 -1.832 1.00 0.00 C ATOM 714 O MET A 49 -2.860 -8.483 -2.599 1.00 0.00 O ATOM 715 CB MET A 49 -2.471 -10.065 -0.130 1.00 0.00 C ATOM 716 CG MET A 49 -1.338 -9.594 0.784 1.00 0.00 C ATOM 717 SD MET A 49 0.234 -9.806 -0.034 1.00 0.00 S ATOM 718 CE MET A 49 0.833 -8.125 0.005 1.00 0.00 C ATOM 0 H MET A 49 -4.854 -10.291 0.556 1.00 0.00 H new ATOM 0 HA MET A 49 -3.126 -8.015 0.060 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.953 -10.941 0.304 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.063 -10.370 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.483 -8.546 1.046 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.352 -10.160 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.896 -8.123 0.244 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.679 -7.661 -0.969 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.289 -7.563 0.764 1.00 0.00 H new ATOM 728 N LEU A 50 -5.032 -8.968 -2.201 1.00 0.00 N ATOM 729 CA LEU A 50 -5.433 -8.833 -3.591 1.00 0.00 C ATOM 730 C LEU A 50 -4.824 -9.976 -4.406 1.00 0.00 C ATOM 731 O LEU A 50 -5.548 -10.773 -5.002 1.00 0.00 O ATOM 732 CB LEU A 50 -5.074 -7.443 -4.119 1.00 0.00 C ATOM 733 CG LEU A 50 -5.807 -6.268 -3.468 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.283 -6.252 -3.871 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.628 -6.284 -1.949 1.00 0.00 C ATOM 0 H LEU A 50 -5.787 -9.214 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.516 -8.915 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.002 -7.293 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.273 -7.421 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.363 -5.343 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.781 -5.407 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.363 -6.157 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.757 -7.180 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.159 -5.439 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.030 -7.213 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.568 -6.212 -1.707 1.00 0.00 H new ATOM 747 N GLY A 51 -3.500 -10.020 -4.407 1.00 0.00 N ATOM 748 CA GLY A 51 -2.786 -11.052 -5.139 1.00 0.00 C ATOM 749 C GLY A 51 -1.337 -10.635 -5.403 1.00 0.00 C ATOM 750 O GLY A 51 -0.471 -11.483 -5.609 1.00 0.00 O ATOM 0 H GLY A 51 -2.903 -9.357 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.803 -11.983 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.290 -11.246 -6.086 1.00 0.00 H new ATOM 754 N LEU A 52 -1.120 -9.328 -5.388 1.00 0.00 N ATOM 755 CA LEU A 52 0.208 -8.788 -5.624 1.00 0.00 C ATOM 756 C LEU A 52 0.892 -8.523 -4.281 1.00 0.00 C ATOM 757 O LEU A 52 0.235 -8.495 -3.241 1.00 0.00 O ATOM 758 CB LEU A 52 0.133 -7.556 -6.529 1.00 0.00 C ATOM 759 CG LEU A 52 0.200 -6.200 -5.824 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.645 -5.827 -5.487 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.494 -5.117 -6.652 1.00 0.00 C ATOM 0 H LEU A 52 -1.841 -8.628 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 52 0.823 -9.511 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.949 -7.609 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.797 -7.603 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.340 -6.279 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.664 -4.859 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.072 -6.584 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.230 -5.772 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.432 -4.163 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.004 -5.031 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.541 -5.384 -6.796 1.00 0.00 H new ATOM 773 N LYS A 53 2.202 -8.335 -4.346 1.00 0.00 N ATOM 774 CA LYS A 53 2.981 -8.073 -3.148 1.00 0.00 C ATOM 775 C LYS A 53 3.658 -6.707 -3.274 1.00 0.00 C ATOM 776 O LYS A 53 4.424 -6.473 -4.208 1.00 0.00 O ATOM 777 CB LYS A 53 3.957 -9.221 -2.883 1.00 0.00 C ATOM 778 CG LYS A 53 4.031 -9.543 -1.389 1.00 0.00 C ATOM 779 CD LYS A 53 5.484 -9.644 -0.921 1.00 0.00 C ATOM 780 CE LYS A 53 5.631 -9.157 0.522 1.00 0.00 C ATOM 781 NZ LYS A 53 5.028 -10.128 1.461 1.00 0.00 N ATOM 0 H LYS A 53 2.744 -8.359 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 53 2.332 -8.028 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.641 -10.107 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.948 -8.953 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.515 -8.769 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.515 -10.482 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.823 -10.677 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.123 -9.051 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.686 -9.019 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.149 -8.186 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.137 -9.782 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.017 -10.239 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.506 -11.047 1.365 1.00 0.00 H new ATOM 795 N VAL A 54 3.352 -5.840 -2.320 1.00 0.00 N ATOM 796 CA VAL A 54 3.922 -4.503 -2.313 1.00 0.00 C ATOM 797 C VAL A 54 4.957 -4.401 -1.191 1.00 0.00 C ATOM 798 O VAL A 54 4.836 -5.072 -0.167 1.00 0.00 O ATOM 799 CB VAL A 54 2.808 -3.461 -2.195 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.374 -2.042 -2.280 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.732 -3.686 -3.259 1.00 0.00 C ATOM 0 H VAL A 54 2.717 -6.037 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 54 4.439 -4.303 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 54 2.342 -3.578 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.562 -1.320 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.086 -1.885 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.878 -1.908 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.952 -2.932 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.179 -3.609 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.297 -4.678 -3.133 1.00 0.00 H new ATOM 811 N VAL A 55 5.952 -3.557 -1.422 1.00 0.00 N ATOM 812 CA VAL A 55 7.007 -3.358 -0.444 1.00 0.00 C ATOM 813 C VAL A 55 7.265 -1.860 -0.275 1.00 0.00 C ATOM 814 O VAL A 55 7.751 -1.202 -1.194 1.00 0.00 O ATOM 815 CB VAL A 55 8.257 -4.137 -0.858 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.508 -3.564 -0.187 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.103 -5.627 -0.547 1.00 0.00 C ATOM 0 H VAL A 55 6.049 -3.003 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 55 6.705 -3.747 0.528 1.00 0.00 H new ATOM 0 HB VAL A 55 8.376 -4.030 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.382 -4.136 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.633 -2.522 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.401 -3.626 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.005 -6.157 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.947 -5.761 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.247 -6.026 -1.091 1.00 0.00 H new ATOM 827 N GLY A 56 6.928 -1.363 0.906 1.00 0.00 N ATOM 828 CA GLY A 56 7.117 0.046 1.207 1.00 0.00 C ATOM 829 C GLY A 56 8.378 0.263 2.046 1.00 0.00 C ATOM 830 O GLY A 56 9.172 -0.659 2.230 1.00 0.00 O ATOM 0 H GLY A 56 6.525 -1.911 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.191 0.613 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.248 0.426 1.744 1.00 0.00 H new ATOM 834 N GLY A 57 8.523 1.487 2.532 1.00 0.00 N ATOM 835 CA GLY A 57 9.674 1.837 3.347 1.00 0.00 C ATOM 836 C GLY A 57 10.974 1.688 2.554 1.00 0.00 C ATOM 837 O GLY A 57 12.062 1.718 3.126 1.00 0.00 O ATOM 0 H GLY A 57 7.863 2.249 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.575 2.863 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.707 1.198 4.229 1.00 0.00 H new ATOM 841 N LYS A 58 10.817 1.529 1.247 1.00 0.00 N ATOM 842 CA LYS A 58 11.964 1.375 0.369 1.00 0.00 C ATOM 843 C LYS A 58 12.685 2.718 0.239 1.00 0.00 C ATOM 844 O LYS A 58 12.101 3.698 -0.222 1.00 0.00 O ATOM 845 CB LYS A 58 11.536 0.774 -0.971 1.00 0.00 C ATOM 846 CG LYS A 58 12.728 0.651 -1.922 1.00 0.00 C ATOM 847 CD LYS A 58 12.834 -0.766 -2.489 1.00 0.00 C ATOM 848 CE LYS A 58 12.076 -0.885 -3.812 1.00 0.00 C ATOM 849 NZ LYS A 58 12.915 -1.553 -4.832 1.00 0.00 N ATOM 0 H LYS A 58 9.913 1.504 0.776 1.00 0.00 H new ATOM 0 HA LYS A 58 12.678 0.670 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.093 -0.209 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.767 1.399 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.622 1.366 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.647 0.905 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.882 -1.023 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.432 -1.480 -1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.157 -1.451 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.787 0.106 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.385 -1.626 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.780 -0.998 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.170 -2.506 -4.502 1.00 0.00 H new ATOM 863 N MET A 59 13.944 2.721 0.653 1.00 0.00 N ATOM 864 CA MET A 59 14.750 3.928 0.587 1.00 0.00 C ATOM 865 C MET A 59 15.359 4.106 -0.805 1.00 0.00 C ATOM 866 O MET A 59 16.189 3.304 -1.231 1.00 0.00 O ATOM 867 CB MET A 59 15.869 3.851 1.628 1.00 0.00 C ATOM 868 CG MET A 59 16.182 5.236 2.200 1.00 0.00 C ATOM 869 SD MET A 59 15.215 5.520 3.674 1.00 0.00 S ATOM 870 CE MET A 59 14.644 7.180 3.354 1.00 0.00 C ATOM 0 H MET A 59 14.425 1.907 1.035 1.00 0.00 H new ATOM 0 HA MET A 59 14.107 4.784 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.575 3.179 2.434 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.766 3.430 1.173 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.244 5.311 2.432 1.00 0.00 H new ATOM 0 HG3 MET A 59 15.963 6.003 1.458 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.110 7.556 4.227 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.498 7.825 3.146 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.975 7.175 2.494 1.00 0.00 H new ATOM 880 N THR A 60 14.923 5.162 -1.476 1.00 0.00 N ATOM 881 CA THR A 60 15.415 5.456 -2.811 1.00 0.00 C ATOM 882 C THR A 60 16.752 6.195 -2.736 1.00 0.00 C ATOM 883 O THR A 60 17.376 6.252 -1.678 1.00 0.00 O ATOM 884 CB THR A 60 14.329 6.237 -3.553 1.00 0.00 C ATOM 885 OG1 THR A 60 14.266 7.483 -2.865 1.00 0.00 O ATOM 886 CG2 THR A 60 12.937 5.633 -3.360 1.00 0.00 C ATOM 0 H THR A 60 14.234 5.825 -1.120 1.00 0.00 H new ATOM 0 HA THR A 60 15.617 4.542 -3.369 1.00 0.00 H new ATOM 0 HB THR A 60 14.566 6.267 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.684 7.395 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.204 6.226 -3.907 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.929 4.610 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.684 5.633 -2.300 1.00 0.00 H new ATOM 894 N GLU A 61 17.153 6.744 -3.874 1.00 0.00 N ATOM 895 CA GLU A 61 18.405 7.477 -3.951 1.00 0.00 C ATOM 896 C GLU A 61 18.206 8.919 -3.477 1.00 0.00 C ATOM 897 O GLU A 61 19.175 9.631 -3.220 1.00 0.00 O ATOM 898 CB GLU A 61 18.976 7.441 -5.370 1.00 0.00 C ATOM 899 CG GLU A 61 18.162 8.331 -6.311 1.00 0.00 C ATOM 900 CD GLU A 61 18.462 8.000 -7.774 1.00 0.00 C ATOM 901 OE1 GLU A 61 18.226 6.832 -8.152 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.921 8.923 -8.482 1.00 0.00 O ATOM 0 H GLU A 61 16.633 6.696 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 61 19.127 6.994 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.014 7.773 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.974 6.416 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.098 8.197 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.392 9.379 -6.117 1.00 0.00 H new ATOM 909 N SER A 62 16.943 9.305 -3.375 1.00 0.00 N ATOM 910 CA SER A 62 16.604 10.648 -2.936 1.00 0.00 C ATOM 911 C SER A 62 16.230 10.636 -1.453 1.00 0.00 C ATOM 912 O SER A 62 15.665 11.602 -0.943 1.00 0.00 O ATOM 913 CB SER A 62 15.457 11.226 -3.768 1.00 0.00 C ATOM 914 OG SER A 62 15.724 12.561 -4.190 1.00 0.00 O ATOM 0 H SER A 62 16.142 8.711 -3.589 1.00 0.00 H new ATOM 0 HA SER A 62 17.477 11.285 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.290 10.596 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.539 11.208 -3.181 1.00 0.00 H new ATOM 0 HG SER A 62 14.969 12.894 -4.719 1.00 0.00 H new ATOM 920 N GLY A 63 16.560 9.530 -0.801 1.00 0.00 N ATOM 921 CA GLY A 63 16.266 9.379 0.614 1.00 0.00 C ATOM 922 C GLY A 63 14.756 9.370 0.862 1.00 0.00 C ATOM 923 O GLY A 63 14.308 9.565 1.991 1.00 0.00 O ATOM 0 H GLY A 63 17.028 8.730 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.704 8.452 0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.725 10.194 1.174 1.00 0.00 H new ATOM 927 N ARG A 64 14.013 9.143 -0.212 1.00 0.00 N ATOM 928 CA ARG A 64 12.564 9.107 -0.125 1.00 0.00 C ATOM 929 C ARG A 64 12.076 7.663 0.017 1.00 0.00 C ATOM 930 O ARG A 64 12.804 6.725 -0.304 1.00 0.00 O ATOM 931 CB ARG A 64 11.921 9.736 -1.363 1.00 0.00 C ATOM 932 CG ARG A 64 11.408 11.145 -1.059 1.00 0.00 C ATOM 933 CD ARG A 64 10.982 11.861 -2.342 1.00 0.00 C ATOM 934 NE ARG A 64 10.496 13.223 -2.023 1.00 0.00 N ATOM 935 CZ ARG A 64 11.298 14.268 -1.777 1.00 0.00 C ATOM 936 NH1 ARG A 64 12.629 14.114 -1.811 1.00 0.00 N ATOM 937 NH2 ARG A 64 10.770 15.467 -1.497 1.00 0.00 N ATOM 0 H ARG A 64 14.388 8.982 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 64 12.271 9.681 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.648 9.777 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.096 9.111 -1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.563 11.088 -0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.187 11.720 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.823 11.918 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.197 11.293 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 64 9.488 13.375 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.032 13.201 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.239 14.909 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.757 15.585 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.381 16.262 -1.310 1.00 0.00 H new ATOM 951 N LEU A 65 10.849 7.531 0.497 1.00 0.00 N ATOM 952 CA LEU A 65 10.256 6.218 0.685 1.00 0.00 C ATOM 953 C LEU A 65 9.053 6.068 -0.249 1.00 0.00 C ATOM 954 O LEU A 65 8.284 7.010 -0.432 1.00 0.00 O ATOM 955 CB LEU A 65 9.922 5.987 2.160 1.00 0.00 C ATOM 956 CG LEU A 65 11.085 6.134 3.143 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.580 6.200 4.585 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.113 5.017 2.946 1.00 0.00 C ATOM 0 H LEU A 65 10.249 8.312 0.762 1.00 0.00 H new ATOM 0 HA LEU A 65 10.967 5.437 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.138 6.687 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.508 4.984 2.265 1.00 0.00 H new ATOM 0 HG LEU A 65 11.590 7.078 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.427 6.304 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.916 7.057 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.036 5.286 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.929 5.144 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.636 4.051 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.506 5.059 1.930 1.00 0.00 H new ATOM 970 N CYS A 66 8.929 4.876 -0.814 1.00 0.00 N ATOM 971 CA CYS A 66 7.833 4.591 -1.725 1.00 0.00 C ATOM 972 C CYS A 66 7.616 3.077 -1.755 1.00 0.00 C ATOM 973 O CYS A 66 8.500 2.311 -1.374 1.00 0.00 O ATOM 974 CB CYS A 66 8.096 5.157 -3.122 1.00 0.00 C ATOM 975 SG CYS A 66 6.558 5.879 -3.803 1.00 0.00 S ATOM 0 H CYS A 66 9.569 4.097 -0.659 1.00 0.00 H new ATOM 0 HA CYS A 66 6.926 5.081 -1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.875 5.918 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.460 4.368 -3.780 1.00 0.00 H new ATOM 0 HG CYS A 66 6.740 6.190 -5.052 1.00 0.00 H new ATOM 981 N ALA A 67 6.433 2.690 -2.210 1.00 0.00 N ATOM 982 CA ALA A 67 6.089 1.281 -2.295 1.00 0.00 C ATOM 983 C ALA A 67 6.103 0.844 -3.761 1.00 0.00 C ATOM 984 O ALA A 67 5.418 1.434 -4.595 1.00 0.00 O ATOM 985 CB ALA A 67 4.731 1.046 -1.630 1.00 0.00 C ATOM 0 H ALA A 67 5.701 3.328 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 67 6.822 0.675 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.473 -0.011 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.782 1.345 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.969 1.637 -2.139 1.00 0.00 H new ATOM 991 N PHE A 68 6.891 -0.187 -4.030 1.00 0.00 N ATOM 992 CA PHE A 68 7.004 -0.710 -5.381 1.00 0.00 C ATOM 993 C PHE A 68 6.605 -2.186 -5.433 1.00 0.00 C ATOM 994 O PHE A 68 6.898 -2.945 -4.510 1.00 0.00 O ATOM 995 CB PHE A 68 8.472 -0.575 -5.792 1.00 0.00 C ATOM 996 CG PHE A 68 9.074 0.801 -5.504 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.644 1.055 -4.296 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.041 1.771 -6.458 1.00 0.00 C ATOM 999 CE1 PHE A 68 10.204 2.332 -4.029 1.00 0.00 C ATOM 1000 CE2 PHE A 68 9.600 3.048 -6.191 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.170 3.302 -4.982 1.00 0.00 C ATOM 0 H PHE A 68 7.457 -0.674 -3.335 1.00 0.00 H new ATOM 0 HA PHE A 68 6.342 -0.159 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.056 -1.332 -5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.561 -0.783 -6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.671 0.285 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.590 1.569 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.657 2.533 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.573 3.818 -6.948 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.595 4.274 -4.779 1.00 0.00 H new ATOM 1011 N ILE A 69 5.943 -2.550 -6.521 1.00 0.00 N ATOM 1012 CA ILE A 69 5.502 -3.922 -6.705 1.00 0.00 C ATOM 1013 C ILE A 69 6.723 -4.842 -6.767 1.00 0.00 C ATOM 1014 O ILE A 69 7.733 -4.498 -7.378 1.00 0.00 O ATOM 1015 CB ILE A 69 4.587 -4.031 -7.927 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.373 -3.111 -7.787 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.179 -5.484 -8.178 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.498 -3.163 -9.041 1.00 0.00 C ATOM 0 H ILE A 69 5.701 -1.918 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 69 4.901 -4.246 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 69 5.145 -3.697 -8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.786 -3.407 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.706 -2.088 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.529 -5.534 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.070 -6.087 -8.354 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.647 -5.868 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.642 -2.500 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.081 -2.843 -9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.147 -4.183 -9.198 1.00 0.00 H new ATOM 1030 N THR A 70 6.589 -5.994 -6.126 1.00 0.00 N ATOM 1031 CA THR A 70 7.668 -6.966 -6.100 1.00 0.00 C ATOM 1032 C THR A 70 7.281 -8.214 -6.896 1.00 0.00 C ATOM 1033 O THR A 70 8.068 -8.711 -7.700 1.00 0.00 O ATOM 1034 CB THR A 70 8.006 -7.259 -4.637 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.753 -7.608 -4.055 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.436 -6.005 -3.873 1.00 0.00 C ATOM 0 H THR A 70 5.749 -6.276 -5.621 1.00 0.00 H new ATOM 0 HA THR A 70 8.564 -6.575 -6.583 1.00 0.00 H new ATOM 0 HB THR A 70 8.801 -8.003 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.190 -6.809 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.664 -6.269 -2.840 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.322 -5.578 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.628 -5.273 -3.891 1.00 0.00 H new ATOM 1044 N LYS A 71 6.068 -8.685 -6.645 1.00 0.00 N ATOM 1045 CA LYS A 71 5.567 -9.865 -7.327 1.00 0.00 C ATOM 1046 C LYS A 71 4.041 -9.787 -7.419 1.00 0.00 C ATOM 1047 O LYS A 71 3.385 -9.300 -6.500 1.00 0.00 O ATOM 1048 CB LYS A 71 6.078 -11.136 -6.646 1.00 0.00 C ATOM 1049 CG LYS A 71 5.599 -12.386 -7.387 1.00 0.00 C ATOM 1050 CD LYS A 71 6.777 -13.291 -7.753 1.00 0.00 C ATOM 1051 CE LYS A 71 6.585 -13.907 -9.140 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.260 -15.222 -9.222 1.00 0.00 N ATOM 0 H LYS A 71 5.417 -8.270 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 71 5.947 -9.904 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.167 -11.123 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.729 -11.165 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.894 -12.935 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.065 -12.095 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.703 -12.716 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.877 -14.083 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.521 -14.024 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.987 -13.237 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.120 -15.626 -10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.278 -15.102 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.858 -15.864 -8.509 1.00 0.00 H new ATOM 1066 N VAL A 72 3.521 -10.275 -8.535 1.00 0.00 N ATOM 1067 CA VAL A 72 2.086 -10.267 -8.758 1.00 0.00 C ATOM 1068 C VAL A 72 1.655 -11.620 -9.329 1.00 0.00 C ATOM 1069 O VAL A 72 1.990 -11.954 -10.464 1.00 0.00 O ATOM 1070 CB VAL A 72 1.702 -9.090 -9.657 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.842 -8.737 -10.614 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.412 -9.383 -10.425 1.00 0.00 C ATOM 0 H VAL A 72 4.068 -10.679 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 72 1.555 -10.127 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 72 1.521 -8.226 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.543 -7.897 -11.242 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.728 -8.464 -10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.069 -9.598 -11.243 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.162 -8.530 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.552 -10.266 -11.048 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.399 -9.562 -9.719 1.00 0.00 H new ATOM 1082 N LYS A 73 0.918 -12.362 -8.515 1.00 0.00 N ATOM 1083 CA LYS A 73 0.438 -13.671 -8.925 1.00 0.00 C ATOM 1084 C LYS A 73 -0.323 -13.540 -10.245 1.00 0.00 C ATOM 1085 O LYS A 73 -0.983 -12.531 -10.488 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.380 -14.316 -7.805 1.00 0.00 C ATOM 1087 CG LYS A 73 -0.726 -15.767 -8.144 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.296 -16.711 -7.019 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.345 -18.170 -7.478 1.00 0.00 C ATOM 1090 NZ LYS A 73 -0.142 -19.081 -6.331 1.00 0.00 N ATOM 0 H LYS A 73 0.642 -12.082 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 73 1.276 -14.345 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.183 -14.281 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.296 -13.748 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.799 -15.859 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.233 -16.054 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.715 -16.461 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.948 -16.575 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.306 -18.377 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.423 -18.347 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.178 -20.067 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.785 -18.894 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.890 -18.924 -5.626 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.205 -14.575 -11.064 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.874 -14.588 -12.354 1.00 0.00 C ATOM 1106 C LYS A 74 -2.230 -15.282 -12.214 1.00 0.00 C ATOM 1107 O LYS A 74 -2.297 -16.506 -12.117 1.00 0.00 O ATOM 1108 CB LYS A 74 0.030 -15.212 -13.420 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.498 -14.920 -14.826 1.00 0.00 C ATOM 1110 CD LYS A 74 0.471 -14.026 -15.601 1.00 0.00 C ATOM 1111 CE LYS A 74 1.052 -14.764 -16.809 1.00 0.00 C ATOM 1112 NZ LYS A 74 1.915 -15.882 -16.367 1.00 0.00 N ATOM 0 H LYS A 74 0.344 -15.410 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.070 -13.570 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.042 -14.820 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.089 -16.289 -13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.645 -15.856 -15.365 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.472 -14.435 -14.759 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.046 -13.126 -15.934 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.279 -13.704 -14.944 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.244 -15.145 -17.433 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.629 -14.072 -17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.355 -16.330 -17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.657 -15.519 -15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.340 -16.584 -15.859 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.277 -14.470 -12.208 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.627 -14.990 -12.082 1.00 0.00 C ATOM 1128 C GLY A 75 -5.284 -14.502 -10.789 1.00 0.00 C ATOM 1129 O GLY A 75 -6.170 -15.163 -10.250 1.00 0.00 O ATOM 0 H GLY A 75 -3.217 -13.455 -12.288 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.223 -14.675 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.603 -16.080 -12.093 1.00 0.00 H new ATOM 1133 N SER A 76 -4.825 -13.347 -10.329 1.00 0.00 N ATOM 1134 CA SER A 76 -5.357 -12.762 -9.110 1.00 0.00 C ATOM 1135 C SER A 76 -5.875 -11.350 -9.391 1.00 0.00 C ATOM 1136 O SER A 76 -5.656 -10.808 -10.473 1.00 0.00 O ATOM 1137 CB SER A 76 -4.297 -12.729 -8.007 1.00 0.00 C ATOM 1138 OG SER A 76 -3.115 -12.051 -8.423 1.00 0.00 O ATOM 0 H SER A 76 -4.090 -12.801 -10.779 1.00 0.00 H new ATOM 0 HA SER A 76 -6.183 -13.383 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.706 -12.236 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.046 -13.749 -7.715 1.00 0.00 H new ATOM 0 HG SER A 76 -2.688 -12.553 -9.148 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.553 -10.795 -8.397 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.104 -9.456 -8.523 1.00 0.00 C ATOM 1146 C LEU A 77 -6.089 -8.556 -9.230 1.00 0.00 C ATOM 1147 O LEU A 77 -6.302 -8.152 -10.372 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.548 -8.929 -7.157 1.00 0.00 C ATOM 1149 CG LEU A 77 -8.943 -9.353 -6.695 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.013 -8.892 -7.687 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.004 -10.861 -6.446 1.00 0.00 C ATOM 0 H LEU A 77 -6.733 -11.248 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.002 -9.470 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.825 -9.257 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.510 -7.840 -7.180 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.152 -8.861 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.995 -9.206 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.988 -7.805 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.819 -9.335 -8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.007 -11.135 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.765 -11.392 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.284 -11.132 -5.674 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.008 -8.267 -8.521 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.959 -7.422 -9.067 1.00 0.00 C ATOM 1165 C ALA A 78 -3.247 -8.166 -10.198 1.00 0.00 C ATOM 1166 O ALA A 78 -2.048 -8.426 -10.117 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.001 -7.009 -7.947 1.00 0.00 C ATOM 0 H ALA A 78 -4.836 -8.603 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.382 -6.510 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.214 -6.375 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.550 -6.458 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.556 -7.899 -7.503 1.00 0.00 H new ATOM 1173 N ASP A 79 -4.017 -8.487 -11.228 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.474 -9.196 -12.375 1.00 0.00 C ATOM 1175 C ASP A 79 -4.581 -9.404 -13.410 1.00 0.00 C ATOM 1176 O ASP A 79 -4.467 -8.947 -14.547 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.941 -10.572 -11.970 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.944 -11.192 -12.950 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -2.417 -11.844 -13.906 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -0.730 -11.001 -12.721 1.00 0.00 O ATOM 0 H ASP A 79 -5.011 -8.269 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.659 -8.600 -12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.463 -10.487 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.785 -11.252 -11.854 1.00 0.00 H new ATOM 1185 N THR A 80 -5.628 -10.093 -12.981 1.00 0.00 N ATOM 1186 CA THR A 80 -6.755 -10.367 -13.857 1.00 0.00 C ATOM 1187 C THR A 80 -7.577 -9.096 -14.081 1.00 0.00 C ATOM 1188 O THR A 80 -8.205 -8.936 -15.126 1.00 0.00 O ATOM 1189 CB THR A 80 -7.562 -11.512 -13.244 1.00 0.00 C ATOM 1190 OG1 THR A 80 -8.063 -10.971 -12.025 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.679 -12.679 -12.798 1.00 0.00 C ATOM 0 H THR A 80 -5.720 -10.470 -12.038 1.00 0.00 H new ATOM 0 HA THR A 80 -6.421 -10.679 -14.846 1.00 0.00 H new ATOM 0 HB THR A 80 -8.294 -11.867 -13.969 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.346 -10.952 -11.357 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.302 -13.464 -12.370 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.137 -13.074 -13.657 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.968 -12.332 -12.048 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.545 -8.225 -13.083 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.279 -6.973 -13.159 1.00 0.00 C ATOM 1201 C VAL A 81 -7.293 -5.805 -13.107 1.00 0.00 C ATOM 1202 O VAL A 81 -7.459 -4.816 -13.820 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.333 -6.917 -12.050 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.469 -7.904 -12.323 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.701 -7.172 -10.681 1.00 0.00 C ATOM 0 H VAL A 81 -7.022 -8.361 -12.218 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.817 -6.902 -14.104 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.758 -5.913 -12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.204 -7.844 -11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.946 -7.656 -13.271 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.068 -8.916 -12.372 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.471 -7.127 -9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.237 -8.158 -10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.944 -6.413 -10.483 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.289 -5.957 -12.257 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.276 -4.926 -12.102 1.00 0.00 C ATOM 1217 C GLY A 82 -4.222 -5.024 -13.207 1.00 0.00 C ATOM 1218 O GLY A 82 -3.711 -4.007 -13.674 1.00 0.00 O ATOM 0 H GLY A 82 -6.155 -6.779 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.746 -3.943 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.797 -5.025 -11.128 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.928 -6.257 -13.594 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.945 -6.500 -14.635 1.00 0.00 C ATOM 1224 C HIS A 83 -1.659 -5.735 -14.315 1.00 0.00 C ATOM 1225 O HIS A 83 -0.956 -5.289 -15.221 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.514 -6.154 -16.012 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.753 -6.935 -16.378 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.703 -8.199 -16.942 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -6.074 -6.620 -16.256 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.945 -8.615 -17.145 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.793 -7.635 -16.720 1.00 0.00 N ATOM 0 H HIS A 83 -4.354 -7.098 -13.205 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.697 -7.561 -14.666 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.746 -5.089 -16.041 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.748 -6.334 -16.766 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.469 -5.700 -15.850 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.235 -9.564 -17.572 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.812 -7.675 -16.753 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.391 -5.605 -13.024 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.202 -4.901 -12.574 1.00 0.00 C ATOM 1241 C LEU A 84 1.040 -5.698 -12.976 1.00 0.00 C ATOM 1242 O LEU A 84 0.944 -6.666 -13.729 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.287 -4.611 -11.074 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.411 -3.670 -10.635 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.074 -4.170 -9.350 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.900 -2.234 -10.496 1.00 0.00 C ATOM 0 H LEU A 84 -1.977 -5.975 -12.275 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.128 -3.928 -13.060 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.406 -5.558 -10.547 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.663 -4.185 -10.752 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.176 -3.666 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.869 -3.483 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.494 -5.161 -9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.331 -4.222 -8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.718 -1.585 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.105 -2.201 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.512 -1.891 -11.455 1.00 0.00 H new ATOM 1258 N ARG A 85 2.178 -5.260 -12.458 1.00 0.00 N ATOM 1259 CA ARG A 85 3.438 -5.920 -12.754 1.00 0.00 C ATOM 1260 C ARG A 85 4.473 -5.598 -11.674 1.00 0.00 C ATOM 1261 O ARG A 85 4.435 -4.526 -11.073 1.00 0.00 O ATOM 1262 CB ARG A 85 3.981 -5.485 -14.117 1.00 0.00 C ATOM 1263 CG ARG A 85 3.543 -6.454 -15.217 1.00 0.00 C ATOM 1264 CD ARG A 85 3.035 -5.696 -16.445 1.00 0.00 C ATOM 1265 NE ARG A 85 3.506 -6.362 -17.680 1.00 0.00 N ATOM 1266 CZ ARG A 85 3.401 -5.831 -18.906 1.00 0.00 C ATOM 1267 NH1 ARG A 85 2.842 -4.624 -19.068 1.00 0.00 N ATOM 1268 NH2 ARG A 85 3.855 -6.507 -19.970 1.00 0.00 N ATOM 0 H ARG A 85 2.254 -4.456 -11.835 1.00 0.00 H new ATOM 0 HA ARG A 85 3.252 -6.994 -12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.627 -4.481 -14.350 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.069 -5.438 -14.081 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.381 -7.092 -15.500 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.758 -7.108 -14.839 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.946 -5.658 -16.435 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.390 -4.666 -16.419 1.00 0.00 H new ATOM 0 HE ARG A 85 3.937 -7.282 -17.593 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.496 -4.109 -18.258 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.762 -4.220 -20.001 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.281 -7.426 -19.847 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.775 -6.103 -20.903 1.00 0.00 H new ATOM 1282 N PRO A 86 5.398 -6.572 -11.455 1.00 0.00 N ATOM 1283 CA PRO A 86 6.441 -6.402 -10.458 1.00 0.00 C ATOM 1284 C PRO A 86 7.522 -5.439 -10.954 1.00 0.00 C ATOM 1285 O PRO A 86 8.463 -5.851 -11.630 1.00 0.00 O ATOM 1286 CB PRO A 86 6.968 -7.804 -10.199 1.00 0.00 C ATOM 1287 CG PRO A 86 6.528 -8.642 -11.388 1.00 0.00 C ATOM 1288 CD PRO A 86 5.474 -7.854 -12.148 1.00 0.00 C ATOM 0 HA PRO A 86 6.073 -5.952 -9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.054 -7.801 -10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.567 -8.206 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.378 -8.865 -12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.123 -9.597 -11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.755 -7.723 -13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.512 -8.367 -12.138 1.00 0.00 H new ATOM 1296 N GLY A 87 7.350 -4.174 -10.598 1.00 0.00 N ATOM 1297 CA GLY A 87 8.299 -3.149 -10.998 1.00 0.00 C ATOM 1298 C GLY A 87 7.676 -1.756 -10.897 1.00 0.00 C ATOM 1299 O GLY A 87 8.386 -0.765 -10.732 1.00 0.00 O ATOM 0 H GLY A 87 6.568 -3.836 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.185 -3.202 -10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.627 -3.331 -12.021 1.00 0.00 H new ATOM 1303 N ASP A 88 6.355 -1.724 -11.000 1.00 0.00 N ATOM 1304 CA ASP A 88 5.629 -0.468 -10.922 1.00 0.00 C ATOM 1305 C ASP A 88 5.885 0.181 -9.561 1.00 0.00 C ATOM 1306 O ASP A 88 6.614 -0.367 -8.735 1.00 0.00 O ATOM 1307 CB ASP A 88 4.122 -0.694 -11.063 1.00 0.00 C ATOM 1308 CG ASP A 88 3.480 -0.031 -12.283 1.00 0.00 C ATOM 1309 OD1 ASP A 88 3.834 1.138 -12.546 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.648 -0.709 -12.925 1.00 0.00 O ATOM 0 H ASP A 88 5.769 -2.548 -11.137 1.00 0.00 H new ATOM 0 HA ASP A 88 5.975 0.173 -11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.934 -1.767 -11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.629 -0.323 -10.165 1.00 0.00 H new ATOM 1315 N GLU A 89 5.271 1.339 -9.367 1.00 0.00 N ATOM 1316 CA GLU A 89 5.423 2.068 -8.120 1.00 0.00 C ATOM 1317 C GLU A 89 4.072 2.618 -7.658 1.00 0.00 C ATOM 1318 O GLU A 89 3.594 3.622 -8.183 1.00 0.00 O ATOM 1319 CB GLU A 89 6.452 3.191 -8.263 1.00 0.00 C ATOM 1320 CG GLU A 89 6.558 4.005 -6.973 1.00 0.00 C ATOM 1321 CD GLU A 89 7.454 5.230 -7.169 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.374 5.822 -8.267 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.199 5.547 -6.217 1.00 0.00 O ATOM 0 H GLU A 89 4.667 1.790 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 89 5.791 1.377 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.425 2.768 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.169 3.845 -9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.565 4.324 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.960 3.379 -6.176 1.00 0.00 H new ATOM 1330 N VAL A 90 3.494 1.935 -6.681 1.00 0.00 N ATOM 1331 CA VAL A 90 2.207 2.343 -6.142 1.00 0.00 C ATOM 1332 C VAL A 90 2.397 3.577 -5.258 1.00 0.00 C ATOM 1333 O VAL A 90 3.033 3.500 -4.208 1.00 0.00 O ATOM 1334 CB VAL A 90 1.555 1.172 -5.403 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.503 0.590 -4.353 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.228 1.595 -4.770 1.00 0.00 C ATOM 0 H VAL A 90 3.893 1.102 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 90 1.527 2.622 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 90 1.344 0.390 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.015 -0.240 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.411 0.234 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.760 1.362 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.215 0.745 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.405 2.402 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.453 1.940 -5.548 1.00 0.00 H new ATOM 1346 N LEU A 91 1.834 4.685 -5.715 1.00 0.00 N ATOM 1347 CA LEU A 91 1.934 5.934 -4.979 1.00 0.00 C ATOM 1348 C LEU A 91 0.910 5.933 -3.842 1.00 0.00 C ATOM 1349 O LEU A 91 1.271 6.094 -2.677 1.00 0.00 O ATOM 1350 CB LEU A 91 1.799 7.127 -5.927 1.00 0.00 C ATOM 1351 CG LEU A 91 2.803 7.185 -7.080 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.607 8.452 -7.914 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.238 7.053 -6.565 1.00 0.00 C ATOM 0 H LEU A 91 1.307 4.744 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 91 2.919 6.030 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.793 7.120 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.894 8.042 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 91 2.618 6.335 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.333 8.469 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.599 8.463 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.749 9.329 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.931 7.097 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.453 7.868 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.353 6.100 -6.049 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.347 5.751 -4.220 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.425 5.727 -3.246 1.00 0.00 C ATOM 1367 C GLU A 92 -2.066 4.339 -3.198 1.00 0.00 C ATOM 1368 O GLU A 92 -1.872 3.530 -4.104 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.468 6.802 -3.557 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.895 8.203 -3.337 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.564 9.222 -4.262 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -2.107 9.322 -5.421 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -3.518 9.877 -3.790 1.00 0.00 O ATOM 0 H GLU A 92 -0.643 5.619 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.006 5.946 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.803 6.700 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.343 6.659 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.040 8.500 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.820 8.193 -3.519 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.817 4.106 -2.131 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.488 2.829 -1.953 1.00 0.00 C ATOM 1382 C TRP A 93 -4.877 3.102 -1.372 1.00 0.00 C ATOM 1383 O TRP A 93 -5.038 3.194 -0.157 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.651 1.887 -1.085 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.307 0.528 -0.832 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.248 0.222 0.072 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -3.030 -0.704 -1.531 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.597 -1.112 0.006 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.833 -1.693 -0.999 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.132 -0.974 -2.578 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.817 -3.018 -1.451 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.128 -2.303 -3.018 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.930 -3.310 -2.493 1.00 0.00 C ATOM 0 H TRP A 93 -2.976 4.779 -1.382 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.605 2.318 -2.908 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.685 1.729 -1.565 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.456 2.369 -0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.679 0.930 0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.289 -1.584 0.588 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.495 -0.216 -3.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.455 -3.774 -1.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.455 -2.564 -3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.869 -4.313 -2.888 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.845 3.223 -2.269 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.215 3.483 -1.861 1.00 0.00 C ATOM 1406 C ASN A 94 -7.340 4.940 -1.410 1.00 0.00 C ATOM 1407 O ASN A 94 -8.347 5.326 -0.819 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.619 2.589 -0.687 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.887 1.797 -1.013 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.008 0.664 -0.327 1.00 0.00 O flip ATOM 1411 ND2 ASN A 94 -9.701 2.188 -1.834 1.00 0.00 N flip ATOM 0 H ASN A 94 -5.707 3.146 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.865 3.277 -2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.807 1.901 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.785 3.200 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.547 3.068 -2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.536 1.635 -2.028 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.303 5.709 -1.707 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.284 7.115 -1.339 1.00 0.00 C ATOM 1420 C GLY A 95 -5.148 7.410 -0.358 1.00 0.00 C ATOM 1421 O GLY A 95 -4.786 8.568 -0.152 1.00 0.00 O ATOM 0 H GLY A 95 -5.470 5.385 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.165 7.727 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.238 7.390 -0.889 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.616 6.343 0.221 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.529 6.473 1.175 1.00 0.00 C ATOM 1427 C ARG A 96 -2.194 6.624 0.442 1.00 0.00 C ATOM 1428 O ARG A 96 -1.762 5.712 -0.262 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.459 5.257 2.101 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.281 5.487 3.371 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.379 5.867 4.547 1.00 0.00 C ATOM 1432 NE ARG A 96 -3.702 7.235 5.011 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.738 7.533 5.806 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -5.559 6.563 6.230 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -4.954 8.803 6.177 1.00 0.00 N ATOM 0 H ARG A 96 -4.918 5.384 0.047 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.721 7.362 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.830 4.375 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.421 5.057 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.011 6.278 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.841 4.584 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.512 5.156 5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.333 5.814 4.246 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.098 7.998 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.395 5.597 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.348 6.791 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.330 9.542 5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.743 9.030 6.782 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.579 7.782 0.631 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.302 8.064 -0.003 1.00 0.00 C ATOM 1451 C LEU A 97 0.779 7.178 0.619 1.00 0.00 C ATOM 1452 O LEU A 97 0.878 7.080 1.842 1.00 0.00 O ATOM 1453 CB LEU A 97 0.012 9.559 0.067 1.00 0.00 C ATOM 1454 CG LEU A 97 1.334 9.997 -0.567 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.093 10.715 -1.897 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.153 10.850 0.404 1.00 0.00 C ATOM 0 H LEU A 97 -1.941 8.536 1.214 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.342 7.820 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.798 10.103 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.017 9.860 1.114 1.00 0.00 H new ATOM 0 HG LEU A 97 1.920 9.104 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.049 11.016 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.581 10.043 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.477 11.598 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.087 11.148 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.585 11.740 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.371 10.271 1.302 1.00 0.00 H new ATOM 1468 N LEU A 98 1.561 6.556 -0.249 1.00 0.00 N ATOM 1469 CA LEU A 98 2.631 5.681 0.200 1.00 0.00 C ATOM 1470 C LEU A 98 3.960 6.438 0.146 1.00 0.00 C ATOM 1471 O LEU A 98 4.918 6.068 0.822 1.00 0.00 O ATOM 1472 CB LEU A 98 2.633 4.379 -0.604 1.00 0.00 C ATOM 1473 CG LEU A 98 1.284 3.668 -0.731 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.448 2.293 -1.380 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.579 3.582 0.624 1.00 0.00 C ATOM 0 H LEU A 98 1.476 6.640 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 98 2.472 5.388 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.004 4.594 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.342 3.691 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 98 0.647 4.260 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.474 1.809 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.877 2.409 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.110 1.679 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.377 3.072 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.202 3.025 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.409 4.587 1.010 1.00 0.00 H new ATOM 1487 N GLN A 99 3.975 7.485 -0.666 1.00 0.00 N ATOM 1488 CA GLN A 99 5.170 8.298 -0.817 1.00 0.00 C ATOM 1489 C GLN A 99 5.603 8.862 0.537 1.00 0.00 C ATOM 1490 O GLN A 99 4.910 9.697 1.117 1.00 0.00 O ATOM 1491 CB GLN A 99 4.944 9.421 -1.832 1.00 0.00 C ATOM 1492 CG GLN A 99 5.506 9.041 -3.204 1.00 0.00 C ATOM 1493 CD GLN A 99 5.758 10.286 -4.056 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.895 11.392 -3.561 1.00 0.00 O ATOM 1495 NE2 GLN A 99 5.812 10.044 -5.363 1.00 0.00 N ATOM 0 H GLN A 99 3.179 7.789 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 99 5.971 7.664 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.878 9.630 -1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.421 10.336 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.436 8.487 -3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.807 8.380 -3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.689 9.093 -5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.977 10.809 -6.017 1.00 0.00 H new ATOM 1504 N GLY A 100 6.748 8.383 1.003 1.00 0.00 N ATOM 1505 CA GLY A 100 7.282 8.829 2.278 1.00 0.00 C ATOM 1506 C GLY A 100 6.948 7.833 3.391 1.00 0.00 C ATOM 1507 O GLY A 100 7.745 7.628 4.305 1.00 0.00 O ATOM 0 H GLY A 100 7.320 7.690 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.363 8.946 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.872 9.808 2.526 1.00 0.00 H new ATOM 1511 N ALA A 101 5.769 7.241 3.277 1.00 0.00 N ATOM 1512 CA ALA A 101 5.320 6.271 4.262 1.00 0.00 C ATOM 1513 C ALA A 101 6.400 5.204 4.449 1.00 0.00 C ATOM 1514 O ALA A 101 7.160 4.916 3.526 1.00 0.00 O ATOM 1515 CB ALA A 101 3.982 5.675 3.819 1.00 0.00 C ATOM 0 H ALA A 101 5.110 7.414 2.518 1.00 0.00 H new ATOM 0 HA ALA A 101 5.159 6.751 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.645 4.948 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.242 6.470 3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.105 5.182 2.854 1.00 0.00 H new ATOM 1521 N THR A 102 6.433 4.646 5.650 1.00 0.00 N ATOM 1522 CA THR A 102 7.407 3.617 5.971 1.00 0.00 C ATOM 1523 C THR A 102 6.882 2.239 5.562 1.00 0.00 C ATOM 1524 O THR A 102 5.732 2.108 5.145 1.00 0.00 O ATOM 1525 CB THR A 102 7.735 3.724 7.461 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.663 3.038 8.103 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.626 5.158 7.984 1.00 0.00 C ATOM 0 H THR A 102 5.800 4.887 6.413 1.00 0.00 H new ATOM 0 HA THR A 102 8.330 3.758 5.409 1.00 0.00 H new ATOM 0 HB THR A 102 8.743 3.349 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.797 3.058 9.074 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.869 5.177 9.046 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.322 5.797 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.609 5.522 7.838 1.00 0.00 H new ATOM 1535 N PHE A 103 7.750 1.247 5.695 1.00 0.00 N ATOM 1536 CA PHE A 103 7.388 -0.116 5.344 1.00 0.00 C ATOM 1537 C PHE A 103 6.111 -0.548 6.068 1.00 0.00 C ATOM 1538 O PHE A 103 5.181 -1.057 5.444 1.00 0.00 O ATOM 1539 CB PHE A 103 8.542 -1.015 5.792 1.00 0.00 C ATOM 1540 CG PHE A 103 8.269 -2.510 5.620 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.516 -3.114 4.426 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.780 -3.236 6.661 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.263 -4.502 4.267 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.527 -4.624 6.501 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.774 -5.228 5.308 1.00 0.00 C ATOM 0 H PHE A 103 8.703 1.360 6.041 1.00 0.00 H new ATOM 0 HA PHE A 103 7.208 -0.188 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.435 -0.752 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.759 -0.814 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.904 -2.538 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.584 -2.757 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.459 -4.981 3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.138 -5.200 7.327 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.582 -6.284 5.187 1.00 0.00 H new ATOM 1555 N GLU A 104 6.107 -0.329 7.375 1.00 0.00 N ATOM 1556 CA GLU A 104 4.960 -0.689 8.191 1.00 0.00 C ATOM 1557 C GLU A 104 3.714 0.059 7.714 1.00 0.00 C ATOM 1558 O GLU A 104 2.654 -0.541 7.539 1.00 0.00 O ATOM 1559 CB GLU A 104 5.232 -0.415 9.671 1.00 0.00 C ATOM 1560 CG GLU A 104 6.359 -1.306 10.196 1.00 0.00 C ATOM 1561 CD GLU A 104 7.405 -0.481 10.949 1.00 0.00 C ATOM 1562 OE1 GLU A 104 6.982 0.327 11.804 1.00 0.00 O ATOM 1563 OE2 GLU A 104 8.603 -0.676 10.653 1.00 0.00 O ATOM 0 H GLU A 104 6.880 0.093 7.889 1.00 0.00 H new ATOM 0 HA GLU A 104 4.782 -1.759 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.499 0.633 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.325 -0.591 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.947 -2.068 10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.832 -1.828 9.364 1.00 0.00 H new ATOM 1570 N GLU A 105 3.882 1.359 7.518 1.00 0.00 N ATOM 1571 CA GLU A 105 2.784 2.195 7.065 1.00 0.00 C ATOM 1572 C GLU A 105 2.126 1.583 5.827 1.00 0.00 C ATOM 1573 O GLU A 105 0.967 1.174 5.874 1.00 0.00 O ATOM 1574 CB GLU A 105 3.261 3.622 6.784 1.00 0.00 C ATOM 1575 CG GLU A 105 2.844 4.571 7.909 1.00 0.00 C ATOM 1576 CD GLU A 105 3.035 6.031 7.494 1.00 0.00 C ATOM 1577 OE1 GLU A 105 2.249 6.485 6.635 1.00 0.00 O ATOM 1578 OE2 GLU A 105 3.964 6.661 8.045 1.00 0.00 O ATOM 0 H GLU A 105 4.762 1.853 7.665 1.00 0.00 H new ATOM 0 HA GLU A 105 2.040 2.246 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.346 3.632 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.845 3.969 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.800 4.397 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.433 4.363 8.802 1.00 0.00 H new ATOM 1585 N VAL A 106 2.894 1.541 4.748 1.00 0.00 N ATOM 1586 CA VAL A 106 2.400 0.986 3.499 1.00 0.00 C ATOM 1587 C VAL A 106 1.620 -0.298 3.790 1.00 0.00 C ATOM 1588 O VAL A 106 0.484 -0.452 3.343 1.00 0.00 O ATOM 1589 CB VAL A 106 3.561 0.772 2.526 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.074 0.139 1.221 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.300 2.084 2.257 1.00 0.00 C ATOM 0 H VAL A 106 3.855 1.882 4.713 1.00 0.00 H new ATOM 0 HA VAL A 106 1.713 1.682 3.017 1.00 0.00 H new ATOM 0 HB VAL A 106 4.264 0.081 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.919 -0.002 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.615 -0.826 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.341 0.794 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.120 1.904 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.610 2.808 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.697 2.477 3.193 1.00 0.00 H new ATOM 1601 N TYR A 107 2.260 -1.185 4.537 1.00 0.00 N ATOM 1602 CA TYR A 107 1.640 -2.450 4.892 1.00 0.00 C ATOM 1603 C TYR A 107 0.333 -2.225 5.656 1.00 0.00 C ATOM 1604 O TYR A 107 -0.734 -2.634 5.202 1.00 0.00 O ATOM 1605 CB TYR A 107 2.635 -3.166 5.808 1.00 0.00 C ATOM 1606 CG TYR A 107 2.220 -4.588 6.187 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.193 -4.791 7.087 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.873 -5.669 5.630 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.803 -6.130 7.444 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.483 -7.008 5.988 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.467 -7.173 6.877 1.00 0.00 C ATOM 1612 OH TYR A 107 1.098 -8.438 7.214 1.00 0.00 O ATOM 0 H TYR A 107 3.202 -1.053 4.906 1.00 0.00 H new ATOM 0 HA TYR A 107 1.406 -3.027 3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.606 -3.201 5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.761 -2.580 6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.682 -3.945 7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 107 3.676 -5.510 4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 107 0.001 -6.303 8.146 1.00 0.00 H new ATOM 0 HE2 TYR A 107 2.986 -7.862 5.560 1.00 0.00 H new ATOM 0 HH TYR A 107 1.658 -9.082 6.732 1.00 0.00 H new ATOM 1622 N ASN A 108 0.461 -1.576 6.804 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.696 -1.291 7.636 1.00 0.00 C ATOM 1624 C ASN A 108 -1.856 -0.835 6.749 1.00 0.00 C ATOM 1625 O ASN A 108 -2.973 -1.336 6.875 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.395 -0.171 8.634 1.00 0.00 C ATOM 1627 CG ASN A 108 0.240 -0.729 9.909 1.00 0.00 C ATOM 1628 OD1 ASN A 108 0.141 -1.904 10.220 1.00 0.00 O ATOM 1629 ND2 ASN A 108 0.896 0.178 10.627 1.00 0.00 N ATOM 0 H ASN A 108 1.348 -1.239 7.178 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.952 -2.200 8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.276 0.557 8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.316 0.356 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.355 -0.094 11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 108 0.940 1.146 10.309 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.553 0.110 5.871 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.556 0.639 4.964 1.00 0.00 C ATOM 1638 C ILE A 109 -3.314 -0.522 4.316 1.00 0.00 C ATOM 1639 O ILE A 109 -4.524 -0.655 4.496 1.00 0.00 O ATOM 1640 CB ILE A 109 -1.916 1.595 3.955 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.323 2.817 4.658 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -2.914 1.989 2.864 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.210 3.447 3.818 1.00 0.00 C ATOM 0 H ILE A 109 -0.626 0.523 5.769 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.288 1.233 5.511 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.093 1.074 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.107 3.552 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.928 2.525 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.434 2.669 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.247 1.096 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.773 2.484 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.194 4.314 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.583 2.717 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.614 3.760 2.855 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.572 -1.332 3.576 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.158 -2.477 2.901 1.00 0.00 C ATOM 1657 C ILE A 110 -3.971 -3.295 3.906 1.00 0.00 C ATOM 1658 O ILE A 110 -5.017 -3.844 3.564 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.078 -3.285 2.180 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.568 -2.540 0.944 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.581 -4.688 1.835 1.00 0.00 C ATOM 1662 CD1 ILE A 110 -0.040 -2.567 0.879 1.00 0.00 C ATOM 0 H ILE A 110 -1.569 -1.218 3.429 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.849 -2.149 2.124 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.232 -3.403 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.982 -2.995 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.916 -1.507 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.794 -5.241 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.856 -5.211 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.453 -4.612 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.296 -2.031 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.371 -2.089 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.304 -3.600 0.830 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.458 -3.351 5.127 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.123 -4.093 6.184 1.00 0.00 C ATOM 1676 C LEU A 111 -5.436 -3.395 6.544 1.00 0.00 C ATOM 1677 O LEU A 111 -6.378 -4.036 7.008 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.183 -4.287 7.375 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.856 -4.511 8.731 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.281 -5.972 8.898 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -2.954 -4.043 9.875 1.00 0.00 C ATOM 0 H LEU A 111 -2.590 -2.895 5.407 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.379 -5.096 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.537 -5.140 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.540 -3.410 7.451 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.762 -3.906 8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.756 -6.104 9.870 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.986 -6.238 8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.404 -6.616 8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.456 -4.213 10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.019 -4.602 9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.744 -2.980 9.761 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.456 -2.089 6.317 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.638 -1.297 6.612 1.00 0.00 C ATOM 1695 C GLU A 112 -7.657 -1.422 5.478 1.00 0.00 C ATOM 1696 O GLU A 112 -8.810 -1.020 5.627 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.268 0.167 6.859 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.664 0.353 8.252 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.409 1.439 9.032 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.635 1.273 9.206 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.734 2.410 9.436 1.00 0.00 O ATOM 0 H GLU A 112 -4.673 -1.560 5.933 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.092 -1.682 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.556 0.498 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.155 0.792 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.708 -0.588 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.611 0.621 8.163 1.00 0.00 H new ATOM 1708 N SER A 113 -7.195 -1.980 4.369 1.00 0.00 N ATOM 1709 CA SER A 113 -8.052 -2.163 3.209 1.00 0.00 C ATOM 1710 C SER A 113 -8.570 -3.602 3.163 1.00 0.00 C ATOM 1711 O SER A 113 -9.142 -4.028 2.161 1.00 0.00 O ATOM 1712 CB SER A 113 -7.309 -1.825 1.916 1.00 0.00 C ATOM 1713 OG SER A 113 -6.829 -2.992 1.255 1.00 0.00 O ATOM 0 H SER A 113 -6.238 -2.312 4.249 1.00 0.00 H new ATOM 0 HA SER A 113 -8.898 -1.482 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.974 -1.278 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.471 -1.166 2.141 1.00 0.00 H new ATOM 0 HG SER A 113 -6.193 -3.459 1.836 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.351 -4.311 4.261 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.789 -5.694 4.358 1.00 0.00 C ATOM 1721 C LYS A 114 -10.317 -5.745 4.299 1.00 0.00 C ATOM 1722 O LYS A 114 -10.886 -6.501 3.513 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.198 -6.356 5.604 1.00 0.00 C ATOM 1724 CG LYS A 114 -7.222 -7.470 5.222 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.036 -7.516 6.188 1.00 0.00 C ATOM 1726 CE LYS A 114 -6.316 -8.464 7.356 1.00 0.00 C ATOM 1727 NZ LYS A 114 -5.183 -9.395 7.551 1.00 0.00 N ATOM 0 H LYS A 114 -7.876 -3.954 5.090 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.418 -6.273 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.684 -5.608 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.000 -6.765 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.739 -8.430 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.862 -7.310 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.142 -7.842 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.833 -6.515 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.483 -7.889 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.229 -9.028 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.390 -10.031 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.042 -9.956 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.319 -8.853 7.756 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.954 -4.911 5.164 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.405 -4.855 5.218 1.00 0.00 C ATOM 1743 C PRO A 115 -12.969 -4.096 4.016 1.00 0.00 C ATOM 1744 O PRO A 115 -14.128 -4.282 3.648 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.723 -4.186 6.545 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.448 -3.476 6.971 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.312 -4.002 6.109 1.00 0.00 C ATOM 0 HA PRO A 115 -12.867 -5.841 5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.546 -3.480 6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.028 -4.921 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.552 -2.398 6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.243 -3.659 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.799 -3.191 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.565 -4.519 6.711 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.123 -3.257 3.436 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.523 -2.469 2.282 1.00 0.00 C ATOM 1757 C GLU A 116 -13.039 -3.383 1.168 1.00 0.00 C ATOM 1758 O GLU A 116 -12.469 -4.443 0.917 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.368 -1.598 1.786 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.286 -0.292 2.579 1.00 0.00 C ATOM 1761 CD GLU A 116 -10.887 0.875 1.675 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.568 1.052 0.642 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -9.909 1.565 2.036 1.00 0.00 O ATOM 0 H GLU A 116 -11.162 -3.106 3.744 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.332 -1.804 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.429 -2.144 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.503 -1.377 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.250 -0.084 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.560 -0.397 3.385 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.140 -2.926 0.514 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.738 -3.690 -0.568 1.00 0.00 C ATOM 1772 C PRO A 117 -13.897 -3.590 -1.841 1.00 0.00 C ATOM 1773 O PRO A 117 -13.789 -4.555 -2.597 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.135 -3.113 -0.731 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.104 -1.750 -0.059 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.842 -1.675 0.784 1.00 0.00 C ATOM 0 HA PRO A 117 -14.785 -4.758 -0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.400 -3.023 -1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.881 -3.759 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.112 -0.956 -0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.988 -1.611 0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.234 -0.813 0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.079 -1.575 1.843 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.321 -2.413 -2.041 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.493 -2.174 -3.210 1.00 0.00 C ATOM 1786 C GLN A 118 -11.183 -1.496 -2.803 1.00 0.00 C ATOM 1787 O GLN A 118 -11.048 -1.025 -1.675 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.241 -1.340 -4.251 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.193 0.149 -3.899 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.403 0.888 -4.474 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.413 0.958 -5.802 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -15.271 1.362 -3.759 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.412 -1.615 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.256 -3.136 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.800 -1.499 -5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.278 -1.670 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.170 0.270 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.275 0.589 -4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -15.202 1.273 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.066 1.848 -4.175 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.250 -1.470 -3.743 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.956 -0.858 -3.497 1.00 0.00 C ATOM 1803 C VAL A 119 -8.494 -0.124 -4.758 1.00 0.00 C ATOM 1804 O VAL A 119 -8.311 -0.741 -5.806 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.958 -1.916 -3.022 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.599 -1.287 -2.709 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.502 -2.678 -1.811 1.00 0.00 C ATOM 0 H VAL A 119 -10.365 -1.863 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.030 -0.119 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.817 -2.631 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.909 -2.061 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.203 -0.811 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.716 -0.540 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.774 -3.424 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.686 -1.980 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.434 -3.174 -2.082 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.319 1.181 -4.614 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.882 2.005 -5.729 1.00 0.00 C ATOM 1819 C GLU A 120 -6.388 2.310 -5.609 1.00 0.00 C ATOM 1820 O GLU A 120 -5.974 3.068 -4.733 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.701 3.294 -5.811 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.294 4.125 -7.030 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.418 5.622 -6.739 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -8.059 6.012 -5.607 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -8.870 6.343 -7.655 1.00 0.00 O ATOM 0 H GLU A 120 -8.472 1.689 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.046 1.450 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.762 3.052 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.557 3.879 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.267 3.889 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.924 3.863 -7.880 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.619 1.705 -6.503 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.180 1.903 -6.508 1.00 0.00 C ATOM 1834 C LEU A 121 -3.831 3.052 -7.457 1.00 0.00 C ATOM 1835 O LEU A 121 -4.660 3.468 -8.265 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.460 0.594 -6.837 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.083 -0.283 -5.641 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.273 -0.462 -4.696 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -2.511 -1.625 -6.103 1.00 0.00 C ATOM 0 H LEU A 121 -5.966 1.078 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.832 2.191 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.095 0.011 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.551 0.831 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.299 0.225 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.978 -1.089 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.595 0.512 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.095 -0.937 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.251 -2.229 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.255 -2.151 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.618 -1.452 -6.704 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.603 3.531 -7.328 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.134 4.623 -8.165 1.00 0.00 C ATOM 1853 C VAL A 122 -0.637 4.452 -8.428 1.00 0.00 C ATOM 1854 O VAL A 122 0.179 4.623 -7.524 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.477 5.965 -7.514 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.281 7.119 -8.500 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -3.903 5.956 -6.957 1.00 0.00 C ATOM 0 H VAL A 122 -1.918 3.183 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.638 4.607 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.792 6.117 -6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.532 8.061 -8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.242 7.145 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.930 6.974 -9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.121 6.921 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.609 5.770 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.996 5.170 -6.207 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.322 4.117 -9.670 1.00 0.00 N ATOM 1868 CA VAL A 123 1.063 3.921 -10.064 1.00 0.00 C ATOM 1869 C VAL A 123 1.510 5.092 -10.942 1.00 0.00 C ATOM 1870 O VAL A 123 0.688 5.731 -11.597 1.00 0.00 O ATOM 1871 CB VAL A 123 1.225 2.563 -10.750 1.00 0.00 C ATOM 1872 CG1 VAL A 123 1.593 1.478 -9.737 1.00 0.00 C ATOM 1873 CG2 VAL A 123 -0.040 2.186 -11.523 1.00 0.00 C ATOM 0 H VAL A 123 -1.002 3.976 -10.417 1.00 0.00 H new ATOM 0 HA VAL A 123 1.711 3.906 -9.188 1.00 0.00 H new ATOM 0 HB VAL A 123 2.043 2.644 -11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.702 0.523 -10.251 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.533 1.738 -9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.806 1.399 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.101 1.217 -12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.884 2.132 -10.835 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.240 2.940 -12.284 1.00 0.00 H new ATOM 1883 N SER A 124 2.812 5.338 -10.927 1.00 0.00 N ATOM 1884 CA SER A 124 3.378 6.421 -11.714 1.00 0.00 C ATOM 1885 C SER A 124 4.742 6.007 -12.269 1.00 0.00 C ATOM 1886 O SER A 124 5.686 5.794 -11.509 1.00 0.00 O ATOM 1887 CB SER A 124 3.509 7.697 -10.881 1.00 0.00 C ATOM 1888 OG SER A 124 3.818 8.831 -11.686 1.00 0.00 O ATOM 0 H SER A 124 3.491 4.806 -10.383 1.00 0.00 H new ATOM 0 HA SER A 124 2.703 6.629 -12.544 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.578 7.877 -10.344 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.288 7.562 -10.131 1.00 0.00 H new ATOM 0 HG SER A 124 3.892 9.626 -11.117 1.00 0.00 H new ATOM 1894 N ARG A 125 4.803 5.904 -13.588 1.00 0.00 N ATOM 1895 CA ARG A 125 6.036 5.519 -14.253 1.00 0.00 C ATOM 1896 C ARG A 125 6.514 6.642 -15.176 1.00 0.00 C ATOM 1897 O ARG A 125 5.721 7.480 -15.602 1.00 0.00 O ATOM 1898 CB ARG A 125 5.844 4.242 -15.073 1.00 0.00 C ATOM 1899 CG ARG A 125 4.917 4.489 -16.265 1.00 0.00 C ATOM 1900 CD ARG A 125 3.529 3.897 -16.012 1.00 0.00 C ATOM 1901 NE ARG A 125 3.655 2.521 -15.482 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.793 1.430 -16.248 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.823 1.549 -17.583 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.900 0.221 -15.681 1.00 0.00 N ATOM 0 H ARG A 125 4.018 6.081 -14.215 1.00 0.00 H new ATOM 0 HA ARG A 125 6.784 5.333 -13.482 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.811 3.885 -15.428 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.427 3.459 -14.440 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.832 5.560 -16.448 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.347 4.046 -17.163 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.982 4.520 -15.304 1.00 0.00 H new ATOM 0 HD3 ARG A 125 2.954 3.888 -16.938 1.00 0.00 H new ATOM 0 HE ARG A 125 3.636 2.395 -14.470 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.741 2.469 -18.015 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.928 0.719 -18.167 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.876 0.130 -14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.005 -0.609 -16.265 1.00 0.00 H new ATOM 1918 N SER A 126 7.809 6.623 -15.457 1.00 0.00 N ATOM 1919 CA SER A 126 8.402 7.629 -16.321 1.00 0.00 C ATOM 1920 C SER A 126 8.103 7.303 -17.786 1.00 0.00 C ATOM 1921 O SER A 126 8.382 6.199 -18.250 1.00 0.00 O ATOM 1922 CB SER A 126 9.913 7.726 -16.097 1.00 0.00 C ATOM 1923 OG SER A 126 10.633 6.799 -16.905 1.00 0.00 O ATOM 0 H SER A 126 8.464 5.927 -15.101 1.00 0.00 H new ATOM 0 HA SER A 126 7.962 8.595 -16.073 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.248 8.739 -16.321 1.00 0.00 H new ATOM 0 HB3 SER A 126 10.136 7.541 -15.046 1.00 0.00 H new ATOM 0 HG SER A 126 10.015 6.127 -17.262 1.00 0.00 H new