USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= -0.439 (180deg=-1.26) USER MOD Single : A 16 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-3.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.45) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00306 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.23! C(o=-2.2!,f=-1!) USER MOD Single : A 39 SER OG : rot -98:sc= 1.34 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 18:sc= 0.343 USER MOD Single : A 55 SER OG : rot -140:sc= 0.0168 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=-0.37) USER MOD Single : A 65 TYR OH : rot 147:sc= -3.28 USER MOD Single : A 68 ASN : amide:sc= -3.02! C(o=-3!,f=-10!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 170:sc= -0.0943 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= -0.0099 (180deg=-0.121) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.338 USER MOD Single : A 81 SER OG : rot 15:sc= 0.0132 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0878 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.2) USER MOD Single : A 93 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-3.1!) USER MOD Single : A 94 SER OG : rot 30:sc= 0.00314 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 48:sc= 0.156 USER MOD Single : A 105 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -8.907 -1.434 -9.953 1.00 0.00 N ATOM 171 CA LYS A 15 -9.807 -0.679 -10.814 1.00 0.00 C ATOM 172 C LYS A 15 -10.144 0.674 -10.196 1.00 0.00 C ATOM 173 O LYS A 15 -10.007 1.715 -10.842 1.00 0.00 O ATOM 174 CB LYS A 15 -11.092 -1.471 -11.065 1.00 0.00 C ATOM 175 CG LYS A 15 -10.939 -2.564 -12.107 1.00 0.00 C ATOM 176 CD LYS A 15 -11.233 -2.049 -13.504 1.00 0.00 C ATOM 177 CE LYS A 15 -12.709 -2.170 -13.847 1.00 0.00 C ATOM 178 NZ LYS A 15 -13.509 -1.058 -13.261 1.00 0.00 N ATOM 0 HA LYS A 15 -9.301 -0.509 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.422 -1.918 -10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.876 -0.784 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.925 -2.962 -12.071 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.613 -3.388 -11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.926 -1.006 -13.580 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.643 -2.609 -14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.831 -2.173 -14.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.090 -3.123 -13.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.289 -0.815 -13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.897 -1.356 -12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.900 -0.226 -13.126 1.00 0.00 H new ATOM 192 N HIS A 16 -10.584 0.654 -8.942 1.00 0.00 N ATOM 193 CA HIS A 16 -10.938 1.880 -8.235 1.00 0.00 C ATOM 194 C HIS A 16 -9.846 2.934 -8.395 1.00 0.00 C ATOM 195 O HIS A 16 -8.699 2.611 -8.704 1.00 0.00 O ATOM 196 CB HIS A 16 -11.171 1.591 -6.753 1.00 0.00 C ATOM 197 CG HIS A 16 -12.066 0.417 -6.504 1.00 0.00 C ATOM 198 ND1 HIS A 16 -13.426 0.443 -6.739 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.792 -0.826 -6.042 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.947 -0.729 -6.429 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.977 -1.518 -6.005 1.00 0.00 N ATOM 0 H HIS A 16 -10.704 -0.198 -8.394 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.859 2.267 -8.670 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -10.210 1.413 -6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.605 2.474 -6.283 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.821 -1.203 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.990 -0.997 -6.509 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.090 -2.485 -5.700 1.00 0.00 H new ATOM 210 N SER A 17 -10.212 4.195 -8.184 1.00 0.00 N ATOM 211 CA SER A 17 -9.264 5.296 -8.308 1.00 0.00 C ATOM 212 C SER A 17 -8.493 5.500 -7.007 1.00 0.00 C ATOM 213 O SER A 17 -7.284 5.727 -7.021 1.00 0.00 O ATOM 214 CB SER A 17 -9.996 6.585 -8.688 1.00 0.00 C ATOM 215 OG SER A 17 -10.399 6.562 -10.045 1.00 0.00 O ATOM 0 H SER A 17 -11.157 4.479 -7.927 1.00 0.00 H new ATOM 0 HA SER A 17 -8.553 5.044 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.869 6.713 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.345 7.442 -8.513 1.00 0.00 H new ATOM 0 HG SER A 17 -10.866 7.396 -10.262 1.00 0.00 H new ATOM 221 N TRP A 18 -9.201 5.415 -5.888 1.00 0.00 N ATOM 222 CA TRP A 18 -8.584 5.590 -4.578 1.00 0.00 C ATOM 223 C TRP A 18 -7.546 4.504 -4.317 1.00 0.00 C ATOM 224 O TRP A 18 -6.435 4.790 -3.866 1.00 0.00 O ATOM 225 CB TRP A 18 -9.651 5.567 -3.482 1.00 0.00 C ATOM 226 CG TRP A 18 -10.815 4.679 -3.803 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.953 5.028 -4.474 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.955 3.295 -3.467 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.790 3.944 -4.574 1.00 0.00 N ATOM 230 CE2 TRP A 18 -12.201 2.868 -3.965 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.149 2.372 -2.795 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.658 1.561 -3.810 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.602 1.076 -2.642 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.848 0.680 -3.149 1.00 0.00 C ATOM 0 H TRP A 18 -10.203 5.226 -5.861 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.082 6.557 -4.566 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.196 5.234 -2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -10.013 6.582 -3.316 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.163 6.011 -4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.703 3.941 -5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.187 2.667 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.618 1.255 -4.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.986 0.356 -2.123 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.174 -0.341 -3.015 1.00 0.00 H new ATOM 245 N TYR A 19 -7.912 3.260 -4.601 1.00 0.00 N ATOM 246 CA TYR A 19 -7.011 2.132 -4.394 1.00 0.00 C ATOM 247 C TYR A 19 -5.642 2.409 -5.007 1.00 0.00 C ATOM 248 O TYR A 19 -5.519 2.619 -6.214 1.00 0.00 O ATOM 249 CB TYR A 19 -7.606 0.860 -5.002 1.00 0.00 C ATOM 250 CG TYR A 19 -7.122 -0.411 -4.339 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.266 -0.601 -2.971 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.523 -1.420 -5.084 1.00 0.00 C ATOM 253 CE1 TYR A 19 -6.824 -1.760 -2.362 1.00 0.00 C ATOM 254 CE2 TYR A 19 -6.080 -2.583 -4.482 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.233 -2.747 -3.121 1.00 0.00 C ATOM 256 OH TYR A 19 -5.793 -3.904 -2.518 1.00 0.00 O ATOM 0 H TYR A 19 -8.826 3.006 -4.975 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.887 1.991 -3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.693 0.907 -4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.358 0.824 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.731 0.169 -2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.402 -1.294 -6.150 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.941 -1.892 -1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.617 -3.359 -5.074 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.402 -4.497 -3.194 1.00 0.00 H new ATOM 266 N HIS A 20 -4.614 2.407 -4.164 1.00 0.00 N ATOM 267 CA HIS A 20 -3.250 2.657 -4.621 1.00 0.00 C ATOM 268 C HIS A 20 -2.473 1.351 -4.749 1.00 0.00 C ATOM 269 O HIS A 20 -1.746 1.141 -5.719 1.00 0.00 O ATOM 270 CB HIS A 20 -2.532 3.600 -3.655 1.00 0.00 C ATOM 271 CG HIS A 20 -2.692 5.048 -4.003 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.757 6.008 -3.678 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.685 5.699 -4.654 1.00 0.00 C ATOM 274 CE1 HIS A 20 -2.170 7.186 -4.111 1.00 0.00 C ATOM 275 NE2 HIS A 20 -3.337 7.025 -4.707 1.00 0.00 N ATOM 0 H HIS A 20 -4.699 2.235 -3.162 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.301 3.126 -5.604 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.912 3.433 -2.647 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.470 3.353 -3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.584 5.256 -5.057 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.643 8.122 -3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.890 7.766 -5.137 1.00 0.00 H new ATOM 284 N GLY A 21 -2.629 0.475 -3.760 1.00 0.00 N ATOM 285 CA GLY A 21 -1.934 -0.800 -3.781 1.00 0.00 C ATOM 286 C GLY A 21 -0.977 -0.956 -2.617 1.00 0.00 C ATOM 287 O GLY A 21 -1.202 -0.432 -1.524 1.00 0.00 O ATOM 0 H GLY A 21 -3.224 0.625 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.664 -1.609 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.382 -0.895 -4.716 1.00 0.00 H new ATOM 291 N PRO A 22 0.120 -1.694 -2.843 1.00 0.00 N ATOM 292 CA PRO A 22 1.138 -1.936 -1.815 1.00 0.00 C ATOM 293 C PRO A 22 1.933 -0.680 -1.478 1.00 0.00 C ATOM 294 O PRO A 22 2.846 -0.296 -2.210 1.00 0.00 O ATOM 295 CB PRO A 22 2.047 -2.988 -2.457 1.00 0.00 C ATOM 296 CG PRO A 22 1.876 -2.791 -3.924 1.00 0.00 C ATOM 297 CD PRO A 22 0.454 -2.347 -4.120 1.00 0.00 C ATOM 0 HA PRO A 22 0.696 -2.253 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.086 -2.850 -2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.760 -3.996 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.574 -2.043 -4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.075 -3.715 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.360 -1.658 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.206 -3.190 -4.324 1.00 0.00 H new ATOM 305 N VAL A 23 1.580 -0.042 -0.367 1.00 0.00 N ATOM 306 CA VAL A 23 2.262 1.172 0.068 1.00 0.00 C ATOM 307 C VAL A 23 2.625 1.099 1.547 1.00 0.00 C ATOM 308 O VAL A 23 1.815 0.685 2.375 1.00 0.00 O ATOM 309 CB VAL A 23 1.395 2.421 -0.175 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.082 3.664 0.372 1.00 0.00 C ATOM 311 CG2 VAL A 23 1.091 2.578 -1.658 1.00 0.00 C ATOM 0 H VAL A 23 0.826 -0.345 0.249 1.00 0.00 H new ATOM 0 HA VAL A 23 3.174 1.251 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 23 0.451 2.295 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.454 4.536 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.243 3.549 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.042 3.798 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.477 3.466 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.024 2.682 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.553 1.699 -2.014 1.00 0.00 H new ATOM 321 N SER A 24 3.848 1.505 1.870 1.00 0.00 N ATOM 322 CA SER A 24 4.321 1.482 3.250 1.00 0.00 C ATOM 323 C SER A 24 3.933 2.766 3.979 1.00 0.00 C ATOM 324 O SER A 24 3.608 3.774 3.351 1.00 0.00 O ATOM 325 CB SER A 24 5.840 1.298 3.289 1.00 0.00 C ATOM 326 OG SER A 24 6.488 2.237 2.449 1.00 0.00 O ATOM 0 H SER A 24 4.530 1.854 1.196 1.00 0.00 H new ATOM 0 HA SER A 24 3.848 0.640 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.197 1.413 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.095 0.286 2.974 1.00 0.00 H new ATOM 0 HG SER A 24 7.457 2.100 2.492 1.00 0.00 H new ATOM 332 N ARG A 25 3.971 2.720 5.306 1.00 0.00 N ATOM 333 CA ARG A 25 3.623 3.877 6.120 1.00 0.00 C ATOM 334 C ARG A 25 4.335 5.130 5.618 1.00 0.00 C ATOM 335 O ARG A 25 3.694 6.094 5.201 1.00 0.00 O ATOM 336 CB ARG A 25 3.986 3.627 7.585 1.00 0.00 C ATOM 337 CG ARG A 25 2.952 2.804 8.336 1.00 0.00 C ATOM 338 CD ARG A 25 3.469 2.369 9.700 1.00 0.00 C ATOM 339 NE ARG A 25 4.457 1.299 9.595 1.00 0.00 N ATOM 340 CZ ARG A 25 5.176 0.862 10.622 1.00 0.00 C ATOM 341 NH1 ARG A 25 5.018 1.399 11.825 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.058 -0.116 10.448 1.00 0.00 N ATOM 0 H ARG A 25 4.239 1.894 5.840 1.00 0.00 H new ATOM 0 HA ARG A 25 2.547 4.033 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.948 3.116 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.111 4.586 8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.041 3.389 8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.689 1.925 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.914 3.224 10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.634 2.032 10.314 1.00 0.00 H new ATOM 0 HE ARG A 25 4.603 0.864 8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.342 2.150 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.572 1.060 12.611 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.183 -0.532 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.610 -0.451 11.237 1.00 0.00 H new ATOM 356 N SER A 26 5.664 5.107 5.659 1.00 0.00 N ATOM 357 CA SER A 26 6.461 6.241 5.211 1.00 0.00 C ATOM 358 C SER A 26 6.034 6.691 3.816 1.00 0.00 C ATOM 359 O SER A 26 5.541 7.803 3.634 1.00 0.00 O ATOM 360 CB SER A 26 7.948 5.878 5.208 1.00 0.00 C ATOM 361 OG SER A 26 8.471 5.870 6.526 1.00 0.00 O ATOM 0 H SER A 26 6.210 4.315 5.998 1.00 0.00 H new ATOM 0 HA SER A 26 6.296 7.065 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.086 4.898 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.500 6.594 4.598 1.00 0.00 H new ATOM 0 HG SER A 26 9.422 5.634 6.499 1.00 0.00 H new ATOM 367 N ALA A 27 6.228 5.816 2.835 1.00 0.00 N ATOM 368 CA ALA A 27 5.863 6.119 1.456 1.00 0.00 C ATOM 369 C ALA A 27 4.545 6.884 1.396 1.00 0.00 C ATOM 370 O ALA A 27 4.476 7.975 0.830 1.00 0.00 O ATOM 371 CB ALA A 27 5.770 4.838 0.641 1.00 0.00 C ATOM 0 H ALA A 27 6.636 4.891 2.969 1.00 0.00 H new ATOM 0 HA ALA A 27 6.641 6.751 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.497 5.079 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.734 4.330 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.012 4.185 1.074 1.00 0.00 H new ATOM 377 N ALA A 28 3.501 6.305 1.980 1.00 0.00 N ATOM 378 CA ALA A 28 2.186 6.933 1.991 1.00 0.00 C ATOM 379 C ALA A 28 2.275 8.383 2.455 1.00 0.00 C ATOM 380 O ALA A 28 1.897 9.299 1.726 1.00 0.00 O ATOM 381 CB ALA A 28 1.235 6.148 2.883 1.00 0.00 C ATOM 0 H ALA A 28 3.541 5.402 2.452 1.00 0.00 H new ATOM 0 HA ALA A 28 1.798 6.928 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.256 6.628 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.140 5.130 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.627 6.124 3.900 1.00 0.00 H new ATOM 387 N GLU A 29 2.775 8.581 3.670 1.00 0.00 N ATOM 388 CA GLU A 29 2.910 9.921 4.230 1.00 0.00 C ATOM 389 C GLU A 29 3.510 10.881 3.206 1.00 0.00 C ATOM 390 O GLU A 29 3.005 11.985 3.003 1.00 0.00 O ATOM 391 CB GLU A 29 3.784 9.887 5.486 1.00 0.00 C ATOM 392 CG GLU A 29 3.044 9.425 6.730 1.00 0.00 C ATOM 393 CD GLU A 29 3.963 8.783 7.751 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.929 8.108 7.337 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.715 8.953 8.962 1.00 0.00 O ATOM 0 H GLU A 29 3.093 7.832 4.285 1.00 0.00 H new ATOM 0 HA GLU A 29 1.915 10.277 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.632 9.225 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.189 10.883 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.540 10.277 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.270 8.712 6.444 1.00 0.00 H new ATOM 403 N TYR A 30 4.591 10.451 2.564 1.00 0.00 N ATOM 404 CA TYR A 30 5.262 11.271 1.563 1.00 0.00 C ATOM 405 C TYR A 30 4.347 11.535 0.372 1.00 0.00 C ATOM 406 O TYR A 30 3.970 12.677 0.103 1.00 0.00 O ATOM 407 CB TYR A 30 6.547 10.590 1.092 1.00 0.00 C ATOM 408 CG TYR A 30 7.054 11.105 -0.236 1.00 0.00 C ATOM 409 CD1 TYR A 30 6.614 10.553 -1.432 1.00 0.00 C ATOM 410 CD2 TYR A 30 7.976 12.144 -0.294 1.00 0.00 C ATOM 411 CE1 TYR A 30 7.076 11.020 -2.647 1.00 0.00 C ATOM 412 CE2 TYR A 30 8.441 12.618 -1.504 1.00 0.00 C ATOM 413 CZ TYR A 30 7.988 12.053 -2.678 1.00 0.00 C ATOM 414 OH TYR A 30 8.452 12.523 -3.887 1.00 0.00 O ATOM 0 H TYR A 30 5.021 9.539 2.719 1.00 0.00 H new ATOM 0 HA TYR A 30 5.513 12.226 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.321 10.732 1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.372 9.517 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.898 9.745 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.334 12.588 0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.725 10.578 -3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 30 9.156 13.427 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 30 9.088 13.253 -3.732 1.00 0.00 H new ATOM 424 N LEU A 31 3.991 10.471 -0.339 1.00 0.00 N ATOM 425 CA LEU A 31 3.118 10.584 -1.502 1.00 0.00 C ATOM 426 C LEU A 31 1.976 11.560 -1.233 1.00 0.00 C ATOM 427 O LEU A 31 1.758 12.502 -1.995 1.00 0.00 O ATOM 428 CB LEU A 31 2.554 9.213 -1.878 1.00 0.00 C ATOM 429 CG LEU A 31 3.584 8.110 -2.129 1.00 0.00 C ATOM 430 CD1 LEU A 31 2.959 6.738 -1.925 1.00 0.00 C ATOM 431 CD2 LEU A 31 4.164 8.231 -3.532 1.00 0.00 C ATOM 0 H LEU A 31 4.294 9.520 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 31 3.710 10.966 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.887 8.885 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.946 9.326 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 31 4.395 8.227 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.707 5.967 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.593 6.653 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.128 6.610 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.895 7.439 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.363 8.141 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.650 9.200 -3.643 1.00 0.00 H new ATOM 443 N LEU A 32 1.252 11.328 -0.144 1.00 0.00 N ATOM 444 CA LEU A 32 0.133 12.186 0.227 1.00 0.00 C ATOM 445 C LEU A 32 0.600 13.618 0.468 1.00 0.00 C ATOM 446 O LEU A 32 -0.097 14.575 0.133 1.00 0.00 O ATOM 447 CB LEU A 32 -0.557 11.646 1.481 1.00 0.00 C ATOM 448 CG LEU A 32 -1.181 10.257 1.357 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.285 9.594 2.724 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.551 10.344 0.700 1.00 0.00 C ATOM 0 H LEU A 32 1.420 10.553 0.497 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.578 12.189 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.172 11.624 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.338 12.348 1.773 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.536 9.645 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.732 8.606 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.290 9.497 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.908 10.204 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.980 9.345 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.205 10.973 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.450 10.776 -0.295 1.00 0.00 H new ATOM 462 N SER A 33 1.790 13.757 1.046 1.00 0.00 N ATOM 463 CA SER A 33 2.351 15.071 1.333 1.00 0.00 C ATOM 464 C SER A 33 2.352 15.946 0.082 1.00 0.00 C ATOM 465 O SER A 33 1.886 17.084 0.107 1.00 0.00 O ATOM 466 CB SER A 33 3.776 14.933 1.873 1.00 0.00 C ATOM 467 OG SER A 33 4.225 16.152 2.442 1.00 0.00 O ATOM 0 H SER A 33 2.383 12.975 1.324 1.00 0.00 H new ATOM 0 HA SER A 33 1.728 15.548 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.809 14.143 2.624 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.447 14.635 1.067 1.00 0.00 H new ATOM 0 HG SER A 33 5.137 16.038 2.782 1.00 0.00 H new ATOM 473 N SER A 34 2.879 15.404 -1.011 1.00 0.00 N ATOM 474 CA SER A 34 2.946 16.135 -2.270 1.00 0.00 C ATOM 475 C SER A 34 1.549 16.346 -2.850 1.00 0.00 C ATOM 476 O SER A 34 1.209 17.445 -3.294 1.00 0.00 O ATOM 477 CB SER A 34 3.817 15.381 -3.277 1.00 0.00 C ATOM 478 OG SER A 34 5.173 15.367 -2.867 1.00 0.00 O ATOM 0 H SER A 34 3.266 14.461 -1.050 1.00 0.00 H new ATOM 0 HA SER A 34 3.392 17.110 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.455 14.358 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.735 15.851 -4.257 1.00 0.00 H new ATOM 0 HG SER A 34 5.709 14.878 -3.526 1.00 0.00 H new ATOM 484 N LEU A 35 0.745 15.289 -2.840 1.00 0.00 N ATOM 485 CA LEU A 35 -0.615 15.358 -3.364 1.00 0.00 C ATOM 486 C LEU A 35 -1.384 16.512 -2.731 1.00 0.00 C ATOM 487 O LEU A 35 -0.917 17.133 -1.776 1.00 0.00 O ATOM 488 CB LEU A 35 -1.348 14.039 -3.107 1.00 0.00 C ATOM 489 CG LEU A 35 -1.160 12.951 -4.167 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.779 11.642 -3.699 1.00 0.00 C ATOM 491 CD2 LEU A 35 -1.765 13.386 -5.492 1.00 0.00 C ATOM 0 H LEU A 35 1.011 14.374 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.557 15.531 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.018 13.644 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.414 14.250 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.092 12.793 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.637 10.878 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.299 11.323 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.845 11.786 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.622 12.600 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.831 13.572 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.277 14.299 -5.833 1.00 0.00 H new ATOM 503 N ILE A 36 -2.567 16.792 -3.267 1.00 0.00 N ATOM 504 CA ILE A 36 -3.404 17.870 -2.751 1.00 0.00 C ATOM 505 C ILE A 36 -3.855 17.580 -1.325 1.00 0.00 C ATOM 506 O ILE A 36 -3.562 16.520 -0.773 1.00 0.00 O ATOM 507 CB ILE A 36 -4.644 18.091 -3.637 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.641 16.945 -3.452 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.237 18.216 -5.097 1.00 0.00 C ATOM 510 CD1 ILE A 36 -6.993 17.213 -4.076 1.00 0.00 C ATOM 0 H ILE A 36 -2.968 16.288 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.796 18.775 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.127 19.020 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.223 16.037 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.773 16.757 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.125 18.372 -5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.561 19.063 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.733 17.303 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.648 16.359 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.432 18.103 -3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.874 17.371 -5.148 1.00 0.00 H new ATOM 522 N ASN A 37 -4.574 18.529 -0.732 1.00 0.00 N ATOM 523 CA ASN A 37 -5.068 18.375 0.631 1.00 0.00 C ATOM 524 C ASN A 37 -6.254 17.418 0.674 1.00 0.00 C ATOM 525 O ASN A 37 -6.296 16.500 1.492 1.00 0.00 O ATOM 526 CB ASN A 37 -5.475 19.734 1.204 1.00 0.00 C ATOM 527 CG ASN A 37 -6.916 20.086 0.892 1.00 0.00 C ATOM 528 OD1 ASN A 37 -7.787 20.008 1.760 1.00 0.00 O ATOM 529 ND2 ASN A 37 -7.175 20.476 -0.351 1.00 0.00 N ATOM 0 H ASN A 37 -4.827 19.412 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.264 17.958 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.332 19.727 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.820 20.506 0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.127 20.726 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.422 20.526 -1.037 1.00 0.00 H new ATOM 536 N GLY A 38 -7.218 17.637 -0.215 1.00 0.00 N ATOM 537 CA GLY A 38 -8.393 16.785 -0.262 1.00 0.00 C ATOM 538 C GLY A 38 -8.157 15.515 -1.056 1.00 0.00 C ATOM 539 O GLY A 38 -8.856 15.248 -2.033 1.00 0.00 O ATOM 0 H GLY A 38 -7.207 18.389 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.690 16.525 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.221 17.338 -0.705 1.00 0.00 H new ATOM 543 N SER A 39 -7.168 14.733 -0.638 1.00 0.00 N ATOM 544 CA SER A 39 -6.838 13.488 -1.320 1.00 0.00 C ATOM 545 C SER A 39 -6.825 12.319 -0.340 1.00 0.00 C ATOM 546 O SER A 39 -6.259 12.413 0.749 1.00 0.00 O ATOM 547 CB SER A 39 -5.478 13.605 -2.010 1.00 0.00 C ATOM 548 OG SER A 39 -4.503 14.138 -1.130 1.00 0.00 O ATOM 0 H SER A 39 -6.581 14.940 0.170 1.00 0.00 H new ATOM 0 HA SER A 39 -7.604 13.300 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.159 12.623 -2.360 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.567 14.243 -2.889 1.00 0.00 H new ATOM 0 HG SER A 39 -4.399 15.098 -1.300 1.00 0.00 H new ATOM 554 N PHE A 40 -7.453 11.216 -0.736 1.00 0.00 N ATOM 555 CA PHE A 40 -7.514 10.027 0.106 1.00 0.00 C ATOM 556 C PHE A 40 -7.117 8.782 -0.680 1.00 0.00 C ATOM 557 O PHE A 40 -7.569 8.573 -1.807 1.00 0.00 O ATOM 558 CB PHE A 40 -8.924 9.854 0.678 1.00 0.00 C ATOM 559 CG PHE A 40 -9.840 9.070 -0.215 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.927 7.691 -0.104 1.00 0.00 C ATOM 561 CD2 PHE A 40 -10.617 9.710 -1.167 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.770 6.966 -0.923 1.00 0.00 C ATOM 563 CE2 PHE A 40 -11.463 8.990 -1.991 1.00 0.00 C ATOM 564 CZ PHE A 40 -11.538 7.616 -1.869 1.00 0.00 C ATOM 0 H PHE A 40 -7.927 11.121 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.808 10.157 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.857 9.355 1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.358 10.838 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.328 7.177 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.561 10.784 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.829 5.892 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.064 9.501 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.196 7.051 -2.512 1.00 0.00 H new ATOM 574 N LEU A 41 -6.268 7.956 -0.079 1.00 0.00 N ATOM 575 CA LEU A 41 -5.808 6.730 -0.722 1.00 0.00 C ATOM 576 C LEU A 41 -5.942 5.538 0.219 1.00 0.00 C ATOM 577 O LEU A 41 -5.953 5.695 1.440 1.00 0.00 O ATOM 578 CB LEU A 41 -4.351 6.880 -1.167 1.00 0.00 C ATOM 579 CG LEU A 41 -3.297 6.758 -0.067 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.881 5.305 0.112 1.00 0.00 C ATOM 581 CD2 LEU A 41 -2.089 7.625 -0.387 1.00 0.00 C ATOM 0 H LEU A 41 -5.884 8.113 0.853 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.433 6.552 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.144 6.125 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.237 7.853 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.732 7.109 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.130 5.236 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.751 4.709 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.464 4.928 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.349 7.525 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.652 7.305 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.399 8.667 -0.465 1.00 0.00 H new ATOM 593 N VAL A 42 -6.041 4.343 -0.357 1.00 0.00 N ATOM 594 CA VAL A 42 -6.173 3.124 0.430 1.00 0.00 C ATOM 595 C VAL A 42 -4.959 2.218 0.245 1.00 0.00 C ATOM 596 O VAL A 42 -4.831 1.535 -0.771 1.00 0.00 O ATOM 597 CB VAL A 42 -7.445 2.344 0.049 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.568 1.080 0.886 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.676 3.223 0.211 1.00 0.00 C ATOM 0 H VAL A 42 -6.032 4.194 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.242 3.427 1.475 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.371 2.051 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.473 0.542 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.699 0.444 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.620 1.346 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.566 2.656 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.757 3.548 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.588 4.095 -0.437 1.00 0.00 H new ATOM 609 N ARG A 43 -4.072 2.218 1.233 1.00 0.00 N ATOM 610 CA ARG A 43 -2.869 1.397 1.180 1.00 0.00 C ATOM 611 C ARG A 43 -3.063 0.097 1.956 1.00 0.00 C ATOM 612 O ARG A 43 -4.107 -0.121 2.569 1.00 0.00 O ATOM 613 CB ARG A 43 -1.674 2.167 1.746 1.00 0.00 C ATOM 614 CG ARG A 43 -1.866 2.620 3.184 1.00 0.00 C ATOM 615 CD ARG A 43 -0.795 3.613 3.602 1.00 0.00 C ATOM 616 NE ARG A 43 -0.741 3.780 5.053 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.163 2.907 5.871 1.00 0.00 C ATOM 618 NH1 ARG A 43 0.407 1.813 5.385 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.154 3.128 7.179 1.00 0.00 N ATOM 0 H ARG A 43 -4.163 2.778 2.081 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.673 1.152 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.786 1.537 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.486 3.040 1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.850 3.076 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.840 1.754 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.175 3.274 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.991 4.577 3.133 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.170 4.611 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.403 1.639 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.850 1.145 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.591 3.968 7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.290 2.457 7.806 1.00 0.00 H new ATOM 633 N GLU A 44 -2.048 -0.763 1.923 1.00 0.00 N ATOM 634 CA GLU A 44 -2.109 -2.041 2.621 1.00 0.00 C ATOM 635 C GLU A 44 -1.067 -2.103 3.735 1.00 0.00 C ATOM 636 O GLU A 44 0.040 -1.584 3.590 1.00 0.00 O ATOM 637 CB GLU A 44 -1.893 -3.194 1.640 1.00 0.00 C ATOM 638 CG GLU A 44 -2.118 -4.568 2.254 1.00 0.00 C ATOM 639 CD GLU A 44 -2.355 -5.641 1.211 1.00 0.00 C ATOM 640 OE1 GLU A 44 -3.333 -5.515 0.443 1.00 0.00 O ATOM 641 OE2 GLU A 44 -1.565 -6.606 1.160 1.00 0.00 O ATOM 0 H GLU A 44 -1.176 -0.597 1.421 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.099 -2.135 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.567 -3.070 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.877 -3.142 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.252 -4.838 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.974 -4.525 2.927 1.00 0.00 H new ATOM 649 N SER A 45 -1.430 -2.740 4.843 1.00 0.00 N ATOM 650 CA SER A 45 -0.528 -2.866 5.981 1.00 0.00 C ATOM 651 C SER A 45 0.568 -3.887 5.696 1.00 0.00 C ATOM 652 O SER A 45 0.372 -4.824 4.924 1.00 0.00 O ATOM 653 CB SER A 45 -1.308 -3.274 7.233 1.00 0.00 C ATOM 654 OG SER A 45 -2.486 -2.500 7.375 1.00 0.00 O ATOM 0 H SER A 45 -2.342 -3.177 4.977 1.00 0.00 H new ATOM 0 HA SER A 45 -0.060 -1.896 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.568 -4.331 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.679 -3.149 8.114 1.00 0.00 H new ATOM 0 HG SER A 45 -2.967 -2.781 8.181 1.00 0.00 H new ATOM 660 N GLU A 46 1.723 -3.698 6.326 1.00 0.00 N ATOM 661 CA GLU A 46 2.853 -4.601 6.140 1.00 0.00 C ATOM 662 C GLU A 46 2.881 -5.669 7.230 1.00 0.00 C ATOM 663 O GLU A 46 3.300 -6.803 6.994 1.00 0.00 O ATOM 664 CB GLU A 46 4.167 -3.820 6.142 1.00 0.00 C ATOM 665 CG GLU A 46 4.491 -3.167 4.808 1.00 0.00 C ATOM 666 CD GLU A 46 3.429 -2.177 4.371 1.00 0.00 C ATOM 667 OE1 GLU A 46 2.729 -2.460 3.374 1.00 0.00 O ATOM 668 OE2 GLU A 46 3.296 -1.121 5.023 1.00 0.00 O ATOM 0 H GLU A 46 1.901 -2.927 6.970 1.00 0.00 H new ATOM 0 HA GLU A 46 2.735 -5.094 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.121 -3.050 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.980 -4.494 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.451 -2.656 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.598 -3.939 4.046 1.00 0.00 H new ATOM 676 N SER A 47 2.432 -5.298 8.425 1.00 0.00 N ATOM 677 CA SER A 47 2.411 -6.221 9.554 1.00 0.00 C ATOM 678 C SER A 47 1.880 -7.588 9.127 1.00 0.00 C ATOM 679 O SER A 47 2.557 -8.604 9.281 1.00 0.00 O ATOM 680 CB SER A 47 1.549 -5.657 10.684 1.00 0.00 C ATOM 681 OG SER A 47 1.383 -6.607 11.722 1.00 0.00 O ATOM 0 H SER A 47 2.078 -4.365 8.636 1.00 0.00 H new ATOM 0 HA SER A 47 3.433 -6.343 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.012 -4.755 11.083 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.574 -5.368 10.292 1.00 0.00 H new ATOM 0 HG SER A 47 0.829 -6.221 12.433 1.00 0.00 H new ATOM 687 N SER A 48 0.665 -7.602 8.591 1.00 0.00 N ATOM 688 CA SER A 48 0.040 -8.843 8.147 1.00 0.00 C ATOM 689 C SER A 48 -0.683 -8.640 6.819 1.00 0.00 C ATOM 690 O SER A 48 -1.271 -7.590 6.556 1.00 0.00 O ATOM 691 CB SER A 48 -0.942 -9.352 9.203 1.00 0.00 C ATOM 692 OG SER A 48 -0.264 -9.727 10.390 1.00 0.00 O ATOM 0 H SER A 48 0.093 -6.769 8.453 1.00 0.00 H new ATOM 0 HA SER A 48 0.825 -9.586 8.005 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.674 -8.576 9.428 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.494 -10.206 8.810 1.00 0.00 H new ATOM 0 HG SER A 48 -0.913 -10.047 11.050 1.00 0.00 H new ATOM 698 N PRO A 49 -0.642 -9.671 5.961 1.00 0.00 N ATOM 699 CA PRO A 49 -1.289 -9.632 4.645 1.00 0.00 C ATOM 700 C PRO A 49 -2.811 -9.650 4.747 1.00 0.00 C ATOM 701 O PRO A 49 -3.372 -10.217 5.683 1.00 0.00 O ATOM 702 CB PRO A 49 -0.782 -10.906 3.963 1.00 0.00 C ATOM 703 CG PRO A 49 -0.445 -11.827 5.085 1.00 0.00 C ATOM 704 CD PRO A 49 0.039 -10.952 6.208 1.00 0.00 C ATOM 0 HA PRO A 49 -1.052 -8.718 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.543 -11.337 3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.090 -10.702 3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.317 -12.406 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.323 -12.540 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.224 -11.366 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.123 -10.840 6.192 1.00 0.00 H new ATOM 712 N GLY A 50 -3.471 -9.029 3.776 1.00 0.00 N ATOM 713 CA GLY A 50 -4.922 -8.987 3.775 1.00 0.00 C ATOM 714 C GLY A 50 -5.465 -7.729 4.421 1.00 0.00 C ATOM 715 O GLY A 50 -6.361 -7.081 3.878 1.00 0.00 O ATOM 0 H GLY A 50 -3.028 -8.554 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.284 -9.050 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.308 -9.859 4.303 1.00 0.00 H new ATOM 719 N GLN A 51 -4.926 -7.382 5.585 1.00 0.00 N ATOM 720 CA GLN A 51 -5.365 -6.193 6.306 1.00 0.00 C ATOM 721 C GLN A 51 -5.206 -4.944 5.447 1.00 0.00 C ATOM 722 O GLN A 51 -4.268 -4.837 4.654 1.00 0.00 O ATOM 723 CB GLN A 51 -4.571 -6.037 7.605 1.00 0.00 C ATOM 724 CG GLN A 51 -5.017 -6.984 8.707 1.00 0.00 C ATOM 725 CD GLN A 51 -6.268 -6.503 9.420 1.00 0.00 C ATOM 726 OE1 GLN A 51 -6.193 -5.713 10.360 1.00 0.00 O ATOM 727 NE2 GLN A 51 -7.423 -6.978 8.971 1.00 0.00 N ATOM 0 H GLN A 51 -4.185 -7.907 6.049 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.422 -6.314 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.514 -6.206 7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.667 -5.010 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.203 -7.970 8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.211 -7.097 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.436 -7.632 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.298 -6.689 9.409 1.00 0.00 H new ATOM 736 N LEU A 52 -6.128 -4.000 5.606 1.00 0.00 N ATOM 737 CA LEU A 52 -6.091 -2.757 4.843 1.00 0.00 C ATOM 738 C LEU A 52 -6.360 -1.557 5.745 1.00 0.00 C ATOM 739 O LEU A 52 -6.822 -1.709 6.876 1.00 0.00 O ATOM 740 CB LEU A 52 -7.119 -2.799 3.712 1.00 0.00 C ATOM 741 CG LEU A 52 -6.683 -3.520 2.436 1.00 0.00 C ATOM 742 CD1 LEU A 52 -7.892 -4.053 1.684 1.00 0.00 C ATOM 743 CD2 LEU A 52 -5.871 -2.587 1.548 1.00 0.00 C ATOM 0 H LEU A 52 -6.910 -4.072 6.257 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.094 -2.651 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.022 -3.280 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.387 -1.775 3.453 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.053 -4.364 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.562 -4.563 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.435 -4.754 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.547 -3.225 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.569 -3.116 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.478 -1.723 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.984 -2.253 2.086 1.00 0.00 H new ATOM 755 N SER A 53 -6.066 -0.364 5.237 1.00 0.00 N ATOM 756 CA SER A 53 -6.275 0.862 5.997 1.00 0.00 C ATOM 757 C SER A 53 -6.544 2.041 5.065 1.00 0.00 C ATOM 758 O SER A 53 -6.219 1.993 3.879 1.00 0.00 O ATOM 759 CB SER A 53 -5.055 1.158 6.872 1.00 0.00 C ATOM 760 OG SER A 53 -5.064 0.362 8.044 1.00 0.00 O ATOM 0 H SER A 53 -5.683 -0.221 4.303 1.00 0.00 H new ATOM 0 HA SER A 53 -7.147 0.720 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.143 0.968 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.047 2.213 7.145 1.00 0.00 H new ATOM 0 HG SER A 53 -5.668 -0.399 7.918 1.00 0.00 H new ATOM 766 N ILE A 54 -7.141 3.094 5.612 1.00 0.00 N ATOM 767 CA ILE A 54 -7.453 4.284 4.830 1.00 0.00 C ATOM 768 C ILE A 54 -6.734 5.511 5.384 1.00 0.00 C ATOM 769 O ILE A 54 -7.100 6.035 6.435 1.00 0.00 O ATOM 770 CB ILE A 54 -8.968 4.559 4.805 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.701 3.431 4.078 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.253 5.898 4.140 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.198 3.441 4.299 1.00 0.00 C ATOM 0 H ILE A 54 -7.418 3.148 6.592 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.109 4.093 3.813 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.331 4.601 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.499 3.507 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.299 2.474 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.328 6.078 4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.757 6.693 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.878 5.883 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.652 2.614 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.409 3.334 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.613 4.383 3.940 1.00 0.00 H new ATOM 785 N SER A 55 -5.710 5.963 4.667 1.00 0.00 N ATOM 786 CA SER A 55 -4.937 7.126 5.088 1.00 0.00 C ATOM 787 C SER A 55 -5.230 8.324 4.192 1.00 0.00 C ATOM 788 O SER A 55 -5.000 8.282 2.982 1.00 0.00 O ATOM 789 CB SER A 55 -3.442 6.807 5.062 1.00 0.00 C ATOM 790 OG SER A 55 -3.126 5.766 5.969 1.00 0.00 O ATOM 0 H SER A 55 -5.396 5.542 3.792 1.00 0.00 H new ATOM 0 HA SER A 55 -5.229 7.377 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.147 6.517 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.872 7.701 5.317 1.00 0.00 H new ATOM 0 HG SER A 55 -2.278 5.969 6.417 1.00 0.00 H new ATOM 796 N LEU A 56 -5.739 9.395 4.793 1.00 0.00 N ATOM 797 CA LEU A 56 -6.064 10.608 4.050 1.00 0.00 C ATOM 798 C LEU A 56 -5.490 11.840 4.743 1.00 0.00 C ATOM 799 O LEU A 56 -5.540 11.955 5.967 1.00 0.00 O ATOM 800 CB LEU A 56 -7.580 10.749 3.904 1.00 0.00 C ATOM 801 CG LEU A 56 -8.283 11.577 4.982 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.051 13.062 4.748 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.772 11.265 5.007 1.00 0.00 C ATOM 0 H LEU A 56 -5.935 9.448 5.793 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.616 10.530 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.792 11.198 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.019 9.751 3.896 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.861 11.312 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.558 13.636 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.982 13.273 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.447 13.343 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.256 11.863 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.210 11.502 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.918 10.207 5.222 1.00 0.00 H new ATOM 815 N ARG A 57 -4.949 12.759 3.951 1.00 0.00 N ATOM 816 CA ARG A 57 -4.367 13.983 4.487 1.00 0.00 C ATOM 817 C ARG A 57 -5.419 15.084 4.593 1.00 0.00 C ATOM 818 O ARG A 57 -6.277 15.222 3.722 1.00 0.00 O ATOM 819 CB ARG A 57 -3.210 14.453 3.604 1.00 0.00 C ATOM 820 CG ARG A 57 -1.863 13.869 4.004 1.00 0.00 C ATOM 821 CD ARG A 57 -1.158 14.744 5.027 1.00 0.00 C ATOM 822 NE ARG A 57 0.277 14.478 5.079 1.00 0.00 N ATOM 823 CZ ARG A 57 1.145 15.249 5.725 1.00 0.00 C ATOM 824 NH1 ARG A 57 0.725 16.327 6.372 1.00 0.00 N ATOM 825 NH2 ARG A 57 2.436 14.941 5.725 1.00 0.00 N ATOM 0 H ARG A 57 -4.902 12.679 2.935 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.988 13.768 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.421 14.183 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.152 15.541 3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.006 12.870 4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.234 13.763 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.323 15.793 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.594 14.574 6.011 1.00 0.00 H new ATOM 0 HE ARG A 57 0.632 13.655 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.267 16.566 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.393 16.917 6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.762 14.112 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.102 15.534 6.221 1.00 0.00 H new ATOM 839 N TYR A 58 -5.345 15.863 5.666 1.00 0.00 N ATOM 840 CA TYR A 58 -6.291 16.949 5.888 1.00 0.00 C ATOM 841 C TYR A 58 -5.847 17.831 7.051 1.00 0.00 C ATOM 842 O TYR A 58 -5.723 17.366 8.182 1.00 0.00 O ATOM 843 CB TYR A 58 -7.688 16.388 6.163 1.00 0.00 C ATOM 844 CG TYR A 58 -8.732 17.456 6.405 1.00 0.00 C ATOM 845 CD1 TYR A 58 -8.838 18.087 7.638 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.613 17.833 5.399 1.00 0.00 C ATOM 847 CE1 TYR A 58 -9.791 19.061 7.864 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.569 18.808 5.615 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.653 19.418 6.848 1.00 0.00 C ATOM 850 OH TYR A 58 -11.603 20.390 7.068 1.00 0.00 O ATOM 0 H TYR A 58 -4.639 15.762 6.396 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.322 17.559 4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.997 15.774 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.643 15.732 7.033 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.163 17.811 8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.550 17.356 4.432 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.861 19.540 8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.246 19.090 4.822 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.129 20.524 6.252 1.00 0.00 H new ATOM 860 N GLU A 59 -5.610 19.107 6.761 1.00 0.00 N ATOM 861 CA GLU A 59 -5.179 20.054 7.782 1.00 0.00 C ATOM 862 C GLU A 59 -3.714 19.833 8.147 1.00 0.00 C ATOM 863 O GLU A 59 -3.287 20.134 9.260 1.00 0.00 O ATOM 864 CB GLU A 59 -6.052 19.923 9.032 1.00 0.00 C ATOM 865 CG GLU A 59 -6.173 21.211 9.828 1.00 0.00 C ATOM 866 CD GLU A 59 -6.396 22.424 8.945 1.00 0.00 C ATOM 867 OE1 GLU A 59 -5.618 23.394 9.063 1.00 0.00 O ATOM 868 OE2 GLU A 59 -7.349 22.403 8.138 1.00 0.00 O ATOM 0 H GLU A 59 -5.709 19.508 5.828 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.286 21.060 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.048 19.594 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.637 19.146 9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.000 21.122 10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.267 21.356 10.417 1.00 0.00 H new ATOM 876 N GLY A 60 -2.949 19.301 7.199 1.00 0.00 N ATOM 877 CA GLY A 60 -1.539 19.047 7.438 1.00 0.00 C ATOM 878 C GLY A 60 -1.314 17.898 8.402 1.00 0.00 C ATOM 879 O GLY A 60 -0.409 17.948 9.236 1.00 0.00 O ATOM 0 H GLY A 60 -3.280 19.041 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.047 18.825 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.073 19.948 7.836 1.00 0.00 H new ATOM 883 N ARG A 61 -2.138 16.862 8.288 1.00 0.00 N ATOM 884 CA ARG A 61 -2.025 15.698 9.158 1.00 0.00 C ATOM 885 C ARG A 61 -2.419 14.424 8.414 1.00 0.00 C ATOM 886 O ARG A 61 -3.215 14.461 7.476 1.00 0.00 O ATOM 887 CB ARG A 61 -2.907 15.872 10.395 1.00 0.00 C ATOM 888 CG ARG A 61 -2.310 16.798 11.444 1.00 0.00 C ATOM 889 CD ARG A 61 -1.271 16.082 12.291 1.00 0.00 C ATOM 890 NE ARG A 61 -0.443 17.016 13.048 1.00 0.00 N ATOM 891 CZ ARG A 61 -0.874 17.687 14.111 1.00 0.00 C ATOM 892 NH1 ARG A 61 -2.118 17.527 14.539 1.00 0.00 N ATOM 893 NH2 ARG A 61 -0.061 18.521 14.746 1.00 0.00 N ATOM 0 H ARG A 61 -2.891 16.805 7.602 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.985 15.609 9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.877 16.263 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.085 14.895 10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.852 17.658 10.954 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.103 17.182 12.086 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.772 15.401 12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.635 15.474 11.647 1.00 0.00 H new ATOM 0 HE ARG A 61 0.520 17.162 12.744 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.747 16.888 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.447 18.043 15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.897 18.648 14.418 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.394 19.035 15.562 1.00 0.00 H new ATOM 907 N VAL A 62 -1.856 13.298 8.842 1.00 0.00 N ATOM 908 CA VAL A 62 -2.148 12.013 8.217 1.00 0.00 C ATOM 909 C VAL A 62 -3.093 11.185 9.081 1.00 0.00 C ATOM 910 O VAL A 62 -2.706 10.682 10.135 1.00 0.00 O ATOM 911 CB VAL A 62 -0.861 11.205 7.967 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.193 9.832 7.405 1.00 0.00 C ATOM 913 CG2 VAL A 62 0.068 11.963 7.029 1.00 0.00 C ATOM 0 H VAL A 62 -1.196 13.250 9.618 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.626 12.227 7.261 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.348 11.067 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.271 9.276 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.818 9.290 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.728 9.944 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.973 11.379 6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.435 12.132 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.332 12.922 7.475 1.00 0.00 H new ATOM 923 N TYR A 63 -4.334 11.050 8.626 1.00 0.00 N ATOM 924 CA TYR A 63 -5.336 10.284 9.357 1.00 0.00 C ATOM 925 C TYR A 63 -5.547 8.914 8.720 1.00 0.00 C ATOM 926 O TYR A 63 -5.973 8.810 7.569 1.00 0.00 O ATOM 927 CB TYR A 63 -6.660 11.047 9.400 1.00 0.00 C ATOM 928 CG TYR A 63 -6.531 12.454 9.941 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.998 12.688 11.203 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.942 13.548 9.190 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.879 13.970 11.702 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.825 14.835 9.681 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.293 15.040 10.937 1.00 0.00 C ATOM 934 OH TYR A 63 -6.175 16.320 11.429 1.00 0.00 O ATOM 0 H TYR A 63 -4.670 11.461 7.755 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.974 10.139 10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.078 11.090 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.369 10.493 10.016 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.671 11.852 11.804 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.360 13.391 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.464 14.134 12.686 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.148 15.675 9.084 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.511 16.958 10.765 1.00 0.00 H new ATOM 944 N HIS A 64 -5.247 7.863 9.478 1.00 0.00 N ATOM 945 CA HIS A 64 -5.405 6.497 8.990 1.00 0.00 C ATOM 946 C HIS A 64 -6.601 5.819 9.651 1.00 0.00 C ATOM 947 O HIS A 64 -6.854 6.007 10.841 1.00 0.00 O ATOM 948 CB HIS A 64 -4.134 5.690 9.254 1.00 0.00 C ATOM 949 CG HIS A 64 -3.977 5.272 10.683 1.00 0.00 C ATOM 950 ND1 HIS A 64 -4.454 4.075 11.174 1.00 0.00 N ATOM 951 CD2 HIS A 64 -3.390 5.898 11.730 1.00 0.00 C ATOM 952 CE1 HIS A 64 -4.168 3.984 12.461 1.00 0.00 C ATOM 953 NE2 HIS A 64 -3.522 5.078 12.821 1.00 0.00 N ATOM 0 H HIS A 64 -4.893 7.931 10.432 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.583 6.538 7.915 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.140 4.802 8.623 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.269 6.284 8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.907 6.864 11.710 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.420 3.156 13.108 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.177 5.280 13.759 1.00 0.00 H new ATOM 962 N TYR A 65 -7.333 5.030 8.871 1.00 0.00 N ATOM 963 CA TYR A 65 -8.503 4.326 9.380 1.00 0.00 C ATOM 964 C TYR A 65 -8.520 2.878 8.899 1.00 0.00 C ATOM 965 O TYR A 65 -8.802 2.604 7.733 1.00 0.00 O ATOM 966 CB TYR A 65 -9.783 5.037 8.940 1.00 0.00 C ATOM 967 CG TYR A 65 -9.643 6.541 8.856 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.179 7.276 9.940 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.975 7.225 7.694 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.051 8.649 9.869 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.848 8.598 7.613 1.00 0.00 C ATOM 972 CZ TYR A 65 -9.386 9.306 8.703 1.00 0.00 C ATOM 973 OH TYR A 65 -9.260 10.675 8.626 1.00 0.00 O ATOM 0 H TYR A 65 -7.136 4.863 7.884 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.451 4.327 10.469 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.085 4.654 7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.583 4.794 9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.914 6.765 10.854 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.339 6.674 6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.691 9.206 10.722 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.109 9.114 6.701 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.015 10.930 7.712 1.00 0.00 H new ATOM 983 N ARG A 66 -8.217 1.957 9.807 1.00 0.00 N ATOM 984 CA ARG A 66 -8.196 0.536 9.476 1.00 0.00 C ATOM 985 C ARG A 66 -9.595 0.042 9.118 1.00 0.00 C ATOM 986 O ARG A 66 -10.582 0.751 9.309 1.00 0.00 O ATOM 987 CB ARG A 66 -7.642 -0.274 10.650 1.00 0.00 C ATOM 988 CG ARG A 66 -8.423 -0.089 11.940 1.00 0.00 C ATOM 989 CD ARG A 66 -9.508 -1.144 12.090 1.00 0.00 C ATOM 990 NE ARG A 66 -10.409 -0.850 13.202 1.00 0.00 N ATOM 991 CZ ARG A 66 -10.094 -1.057 14.476 1.00 0.00 C ATOM 992 NH1 ARG A 66 -8.909 -1.557 14.797 1.00 0.00 N ATOM 993 NH2 ARG A 66 -10.966 -0.764 15.432 1.00 0.00 N ATOM 0 H ARG A 66 -7.983 2.168 10.777 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.548 0.398 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.642 -1.331 10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.604 0.012 10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.742 -0.142 12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.874 0.903 11.955 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.082 -1.207 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.046 -2.119 12.246 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.329 -0.465 12.989 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.236 -1.784 14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.670 -1.715 15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.879 -0.380 15.189 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.723 -0.923 16.410 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.669 -1.179 8.597 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.946 -1.768 8.212 1.00 0.00 C ATOM 1009 C ILE A 67 -11.349 -2.880 9.175 1.00 0.00 C ATOM 1010 O ILE A 67 -10.596 -3.826 9.397 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.895 -2.335 6.782 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.655 -1.211 5.772 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -12.185 -3.076 6.459 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.197 -0.829 5.628 1.00 0.00 C ATOM 0 H ILE A 67 -8.861 -1.779 8.432 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.688 -0.970 8.251 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.067 -3.040 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.039 -1.519 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.224 -0.333 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.133 -3.471 5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.318 -3.898 7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -13.028 -2.390 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.102 -0.027 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.813 -0.490 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.625 -1.695 5.294 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.545 -2.759 9.741 1.00 0.00 N ATOM 1027 CA ASN A 68 -13.052 -3.755 10.678 1.00 0.00 C ATOM 1028 C ASN A 68 -13.840 -4.838 9.949 1.00 0.00 C ATOM 1029 O ASN A 68 -14.697 -4.542 9.116 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.935 -3.089 11.735 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.135 -2.246 12.711 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.086 -2.670 13.198 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.627 -1.048 12.999 1.00 0.00 N ATOM 0 H ASN A 68 -13.181 -1.981 9.567 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.198 -4.222 11.169 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.677 -2.462 11.241 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.481 -3.856 12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.132 -0.436 13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.500 -0.739 12.571 1.00 0.00 H new ATOM 1040 N THR A 69 -13.547 -6.095 10.268 1.00 0.00 N ATOM 1041 CA THR A 69 -14.227 -7.221 9.644 1.00 0.00 C ATOM 1042 C THR A 69 -15.170 -7.907 10.626 1.00 0.00 C ATOM 1043 O THR A 69 -14.850 -8.065 11.805 1.00 0.00 O ATOM 1044 CB THR A 69 -13.222 -8.258 9.107 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.332 -7.638 8.171 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.946 -9.416 8.437 1.00 0.00 C ATOM 0 H THR A 69 -12.842 -6.358 10.956 1.00 0.00 H new ATOM 0 HA THR A 69 -14.803 -6.819 8.811 1.00 0.00 H new ATOM 0 HB THR A 69 -12.649 -8.647 9.949 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.695 -8.303 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.216 -10.135 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.600 -9.903 9.160 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.541 -9.040 7.605 1.00 0.00 H new ATOM 1054 N THR A 70 -16.336 -8.314 10.133 1.00 0.00 N ATOM 1055 CA THR A 70 -17.327 -8.982 10.968 1.00 0.00 C ATOM 1056 C THR A 70 -17.262 -10.495 10.795 1.00 0.00 C ATOM 1057 O THR A 70 -16.651 -10.995 9.850 1.00 0.00 O ATOM 1058 CB THR A 70 -18.753 -8.500 10.642 1.00 0.00 C ATOM 1059 OG1 THR A 70 -19.035 -8.708 9.254 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.917 -7.027 10.984 1.00 0.00 C ATOM 0 H THR A 70 -16.617 -8.193 9.160 1.00 0.00 H new ATOM 0 HA THR A 70 -17.093 -8.727 12.002 1.00 0.00 H new ATOM 0 HB THR A 70 -19.455 -9.077 11.244 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.988 -8.552 9.087 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.932 -6.709 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.730 -6.877 12.047 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.206 -6.438 10.405 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.896 -11.220 11.711 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.912 -12.676 11.656 1.00 0.00 C ATOM 1070 C ALA A 71 -17.931 -13.172 10.213 1.00 0.00 C ATOM 1071 O ALA A 71 -16.970 -13.783 9.745 1.00 0.00 O ATOM 1072 CB ALA A 71 -19.112 -13.220 12.418 1.00 0.00 C ATOM 0 H ALA A 71 -18.405 -10.822 12.500 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.999 -13.042 12.126 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.111 -14.309 12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.055 -12.904 13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.030 -12.837 11.972 1.00 0.00 H new ATOM 1078 N ASP A 72 -19.029 -12.905 9.516 1.00 0.00 N ATOM 1079 CA ASP A 72 -19.171 -13.323 8.126 1.00 0.00 C ATOM 1080 C ASP A 72 -18.039 -12.764 7.271 1.00 0.00 C ATOM 1081 O ASP A 72 -17.269 -13.517 6.674 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.520 -12.865 7.570 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.658 -13.780 7.979 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.372 -13.442 8.947 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.833 -14.834 7.334 1.00 0.00 O ATOM 0 H ASP A 72 -19.833 -12.401 9.890 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.123 -14.411 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.728 -11.853 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.465 -12.822 6.482 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.943 -11.440 7.216 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.902 -10.803 6.430 1.00 0.00 C ATOM 1093 C GLY A 73 -17.371 -9.517 5.780 1.00 0.00 C ATOM 1094 O GLY A 73 -17.541 -9.453 4.562 1.00 0.00 O ATOM 0 H GLY A 73 -18.568 -10.796 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.046 -10.591 7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.560 -11.493 5.658 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.582 -8.487 6.593 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.035 -7.195 6.091 1.00 0.00 C ATOM 1100 C LYS A 74 -17.055 -6.090 6.474 1.00 0.00 C ATOM 1101 O LYS A 74 -16.776 -5.877 7.654 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.426 -6.872 6.639 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.489 -7.876 6.232 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.157 -7.483 4.926 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.332 -8.393 4.604 1.00 0.00 C ATOM 1106 NZ LYS A 74 -21.916 -9.818 4.486 1.00 0.00 N ATOM 0 H LYS A 74 -17.446 -8.522 7.603 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.085 -7.251 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.377 -6.828 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.722 -5.882 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.038 -8.863 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.240 -7.950 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.502 -6.451 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.429 -7.527 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.088 -8.299 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.795 -8.072 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.714 -10.385 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.119 -9.893 3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.624 -10.173 5.419 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.540 -5.389 5.470 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.595 -4.303 5.701 1.00 0.00 C ATOM 1122 C VAL A 75 -16.316 -2.969 5.850 1.00 0.00 C ATOM 1123 O VAL A 75 -17.204 -2.639 5.063 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.571 -4.197 4.554 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.634 -5.394 4.561 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.283 -4.073 3.216 1.00 0.00 C ATOM 0 H VAL A 75 -16.761 -5.554 4.488 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.069 -4.533 6.628 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.972 -3.299 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.919 -5.301 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.099 -5.431 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.212 -6.309 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.545 -3.999 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.908 -4.951 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.907 -3.179 3.217 1.00 0.00 H new ATOM 1136 N TYR A 76 -15.931 -2.204 6.865 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.541 -0.905 7.119 1.00 0.00 C ATOM 1138 C TYR A 76 -15.741 -0.120 8.155 1.00 0.00 C ATOM 1139 O TYR A 76 -15.402 -0.640 9.217 1.00 0.00 O ATOM 1140 CB TYR A 76 -17.982 -1.081 7.598 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.092 -1.594 9.015 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.989 -2.951 9.295 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.298 -0.721 10.078 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.088 -3.425 10.588 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.398 -1.185 11.375 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.293 -2.538 11.624 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.393 -3.004 12.916 1.00 0.00 O ATOM 0 H TYR A 76 -15.198 -2.462 7.526 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.541 -0.343 6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.499 -0.124 7.526 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.496 -1.772 6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.828 -3.648 8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.381 0.338 9.886 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.005 -4.483 10.787 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.557 -0.493 12.189 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.535 -2.250 13.526 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.447 1.137 7.838 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.689 1.996 8.740 1.00 0.00 C ATOM 1159 C VAL A 77 -15.587 3.049 9.378 1.00 0.00 C ATOM 1160 O VAL A 77 -15.537 4.226 9.018 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.532 2.699 8.005 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.591 1.676 7.387 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.072 3.648 6.948 1.00 0.00 C ATOM 0 H VAL A 77 -15.722 1.583 6.963 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.277 1.354 9.519 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.966 3.284 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.780 2.192 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.178 1.042 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.140 1.061 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.241 4.136 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.663 3.088 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.700 4.402 7.423 1.00 0.00 H new ATOM 1173 N THR A 78 -16.409 2.620 10.329 1.00 0.00 N ATOM 1174 CA THR A 78 -17.320 3.526 11.018 1.00 0.00 C ATOM 1175 C THR A 78 -18.107 2.796 12.102 1.00 0.00 C ATOM 1176 O THR A 78 -18.642 1.713 11.869 1.00 0.00 O ATOM 1177 CB THR A 78 -18.308 4.184 10.038 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.368 4.819 10.761 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.887 3.152 9.080 1.00 0.00 C ATOM 0 H THR A 78 -16.463 1.650 10.640 1.00 0.00 H new ATOM 0 HA THR A 78 -16.706 4.301 11.477 1.00 0.00 H new ATOM 0 HB THR A 78 -17.767 4.932 9.459 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.902 5.365 10.147 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.582 3.640 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.080 2.692 8.509 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.414 2.384 9.647 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.172 3.396 13.286 1.00 0.00 N ATOM 1188 CA ALA A 79 -18.897 2.804 14.403 1.00 0.00 C ATOM 1189 C ALA A 79 -20.376 3.175 14.357 1.00 0.00 C ATOM 1190 O ALA A 79 -21.139 2.826 15.257 1.00 0.00 O ATOM 1191 CB ALA A 79 -18.282 3.245 15.724 1.00 0.00 C ATOM 0 H ALA A 79 -17.731 4.292 13.496 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.818 1.720 14.321 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -18.833 2.796 16.550 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.241 2.925 15.766 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.331 4.331 15.804 1.00 0.00 H new ATOM 1197 N GLU A 80 -20.772 3.880 13.302 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.159 4.298 13.141 1.00 0.00 C ATOM 1199 C GLU A 80 -22.947 3.268 12.335 1.00 0.00 C ATOM 1200 O GLU A 80 -24.045 2.869 12.722 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.228 5.662 12.452 1.00 0.00 C ATOM 1202 CG GLU A 80 -21.767 6.811 13.333 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.185 8.165 12.792 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -21.344 9.087 12.788 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -23.353 8.301 12.372 1.00 0.00 O ATOM 0 H GLU A 80 -20.152 4.173 12.547 1.00 0.00 H new ATOM 0 HA GLU A 80 -22.605 4.378 14.132 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -21.614 5.637 11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.254 5.848 12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.176 6.682 14.335 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.681 6.780 13.425 1.00 0.00 H new ATOM 1213 N SER A 81 -22.377 2.844 11.211 1.00 0.00 N ATOM 1214 CA SER A 81 -23.026 1.865 10.347 1.00 0.00 C ATOM 1215 C SER A 81 -22.010 0.870 9.796 1.00 0.00 C ATOM 1216 O SER A 81 -20.837 0.896 10.162 1.00 0.00 O ATOM 1217 CB SER A 81 -23.746 2.568 9.195 1.00 0.00 C ATOM 1218 OG SER A 81 -24.981 3.115 9.624 1.00 0.00 O ATOM 0 H SER A 81 -21.467 3.163 10.878 1.00 0.00 H new ATOM 0 HA SER A 81 -23.757 1.319 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.113 3.360 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.920 1.860 8.385 1.00 0.00 H new ATOM 0 HG SER A 81 -25.006 3.137 10.603 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.474 -0.010 8.911 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.607 -1.015 8.309 1.00 0.00 C ATOM 1226 C ARG A 82 -21.805 -1.067 6.797 1.00 0.00 C ATOM 1227 O ARG A 82 -22.692 -0.412 6.253 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.886 -2.391 8.918 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.364 -2.545 10.338 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.572 -3.960 10.856 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.979 -4.352 10.825 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.434 -5.493 11.332 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -22.600 -6.346 11.906 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.729 -5.779 11.265 1.00 0.00 N ATOM 0 H ARG A 82 -23.444 -0.046 8.597 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.573 -0.737 8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -22.961 -2.570 8.914 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.433 -3.157 8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.303 -2.298 10.366 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -21.873 -1.838 10.993 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -20.988 -4.656 10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.198 -4.031 11.877 1.00 0.00 H new ATOM 0 HE ARG A 82 -23.648 -3.716 10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.605 -6.128 11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.952 -7.221 12.294 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -25.374 -5.123 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.079 -6.655 11.654 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.969 -1.852 6.124 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.051 -1.989 4.674 1.00 0.00 C ATOM 1250 C PHE A 83 -20.890 -3.447 4.255 1.00 0.00 C ATOM 1251 O PHE A 83 -20.751 -4.333 5.097 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.977 -1.131 3.999 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.072 0.329 4.341 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.190 1.065 3.984 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.044 0.963 5.018 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.281 2.409 4.297 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.131 2.306 5.336 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.250 3.030 4.974 1.00 0.00 C ATOM 0 H PHE A 83 -20.228 -2.402 6.559 1.00 0.00 H new ATOM 0 HA PHE A 83 -22.035 -1.645 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.993 -1.500 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -20.056 -1.249 2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -22.000 0.584 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.165 0.403 5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.157 2.972 4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.324 2.789 5.867 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.319 4.079 5.220 1.00 0.00 H new ATOM 1268 N SER A 84 -20.910 -3.687 2.949 1.00 0.00 N ATOM 1269 CA SER A 84 -20.772 -5.038 2.417 1.00 0.00 C ATOM 1270 C SER A 84 -19.376 -5.255 1.844 1.00 0.00 C ATOM 1271 O SER A 84 -18.689 -6.217 2.195 1.00 0.00 O ATOM 1272 CB SER A 84 -21.825 -5.293 1.336 1.00 0.00 C ATOM 1273 OG SER A 84 -23.128 -5.014 1.817 1.00 0.00 O ATOM 0 H SER A 84 -21.020 -2.963 2.239 1.00 0.00 H new ATOM 0 HA SER A 84 -20.924 -5.742 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.615 -4.672 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.770 -6.331 1.008 1.00 0.00 H new ATOM 0 HG SER A 84 -23.782 -5.183 1.107 1.00 0.00 H new ATOM 1279 N THR A 85 -18.959 -4.355 0.959 1.00 0.00 N ATOM 1280 CA THR A 85 -17.645 -4.448 0.334 1.00 0.00 C ATOM 1281 C THR A 85 -16.835 -3.178 0.567 1.00 0.00 C ATOM 1282 O THR A 85 -17.305 -2.239 1.209 1.00 0.00 O ATOM 1283 CB THR A 85 -17.759 -4.702 -1.180 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.371 -3.576 -1.820 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.572 -5.955 -1.460 1.00 0.00 C ATOM 0 H THR A 85 -19.513 -3.553 0.659 1.00 0.00 H new ATOM 0 HA THR A 85 -17.133 -5.292 0.797 1.00 0.00 H new ATOM 0 HB THR A 85 -16.755 -4.845 -1.579 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.439 -3.744 -2.783 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.638 -6.113 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.087 -6.814 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.574 -5.838 -1.048 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.616 -3.154 0.040 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.740 -1.997 0.189 1.00 0.00 C ATOM 1295 C LEU A 86 -15.196 -0.850 -0.705 1.00 0.00 C ATOM 1296 O LEU A 86 -15.074 0.320 -0.342 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.297 -2.378 -0.148 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.231 -1.334 0.188 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.226 -1.038 1.680 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.859 -1.808 -0.269 1.00 0.00 C ATOM 0 H LEU A 86 -15.211 -3.923 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.790 -1.667 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.053 -3.300 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.240 -2.596 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.471 -0.413 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.461 -0.293 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.202 -0.655 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.011 -1.953 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.112 -1.053 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.611 -2.742 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.870 -1.968 -1.347 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.725 -1.191 -1.875 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.205 -0.189 -2.819 1.00 0.00 C ATOM 1314 C ALA A 87 -17.277 0.691 -2.188 1.00 0.00 C ATOM 1315 O ALA A 87 -17.306 1.901 -2.407 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.743 -0.862 -4.074 1.00 0.00 C ATOM 0 H ALA A 87 -15.832 -2.154 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.364 0.448 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.098 -0.102 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.949 -1.443 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.567 -1.523 -3.807 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.157 0.076 -1.404 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.231 0.805 -0.743 1.00 0.00 C ATOM 1324 C GLU A 88 -18.696 1.607 0.441 1.00 0.00 C ATOM 1325 O GLU A 88 -19.085 2.757 0.654 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.318 -0.162 -0.269 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.832 -1.083 -1.362 1.00 0.00 C ATOM 1328 CD GLU A 88 -22.021 -1.911 -0.915 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -22.974 -2.057 -1.709 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -21.998 -2.414 0.228 1.00 0.00 O ATOM 0 H GLU A 88 -18.146 -0.926 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.662 1.499 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.924 -0.766 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.153 0.412 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -21.114 -0.488 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.029 -1.748 -1.679 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.803 0.992 1.209 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.215 1.648 2.372 1.00 0.00 C ATOM 1340 C LEU A 89 -16.615 2.997 1.992 1.00 0.00 C ATOM 1341 O LEU A 89 -16.904 4.015 2.621 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.139 0.755 2.994 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.232 1.420 4.030 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.432 0.373 4.790 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.301 2.421 3.360 1.00 0.00 C ATOM 0 H LEU A 89 -17.471 0.041 1.048 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.006 1.817 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.630 -0.098 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.514 0.361 2.193 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.859 1.957 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.792 0.865 5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.114 -0.306 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.815 -0.192 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.663 2.885 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.681 1.906 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.891 3.190 2.861 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.780 2.999 0.958 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.143 4.223 0.491 1.00 0.00 C ATOM 1359 C VAL A 90 -16.133 5.107 -0.261 1.00 0.00 C ATOM 1360 O VAL A 90 -16.266 6.296 0.029 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.944 3.918 -0.428 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.434 5.192 -1.082 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.836 3.230 0.355 1.00 0.00 C ATOM 0 H VAL A 90 -15.529 2.165 0.427 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.788 4.751 1.376 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.275 3.242 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.588 4.956 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.230 5.639 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.118 5.895 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.997 3.022 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.505 3.880 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.211 2.295 0.771 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.828 4.516 -1.229 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.807 5.249 -2.022 1.00 0.00 C ATOM 1375 C HIS A 91 -18.814 5.961 -1.123 1.00 0.00 C ATOM 1376 O HIS A 91 -18.896 7.189 -1.118 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.539 4.300 -2.972 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.465 4.996 -3.921 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -19.025 5.709 -5.016 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.815 5.087 -3.933 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -20.064 6.207 -5.660 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -21.163 5.845 -5.025 1.00 0.00 N ATOM 0 H HIS A 91 -16.731 3.533 -1.482 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.274 5.999 -2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.804 3.734 -3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.109 3.580 -2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.493 4.646 -3.217 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -20.022 6.809 -6.556 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -22.115 6.088 -5.300 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.576 5.181 -0.362 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.575 5.737 0.542 1.00 0.00 C ATOM 1393 C HIS A 92 -20.062 7.014 1.202 1.00 0.00 C ATOM 1394 O HIS A 92 -20.567 8.107 0.942 1.00 0.00 O ATOM 1395 CB HIS A 92 -20.953 4.713 1.611 1.00 0.00 C ATOM 1396 CG HIS A 92 -21.862 5.259 2.670 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.228 5.079 2.654 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -21.591 5.981 3.781 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -23.759 5.670 3.710 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -22.787 6.224 4.411 1.00 0.00 N ATOM 0 H HIS A 92 -19.520 4.163 -0.354 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.461 5.983 -0.044 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.437 3.862 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.044 4.339 2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -20.616 6.306 4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -24.810 5.695 3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -22.905 6.747 5.279 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.055 6.866 2.058 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.473 8.007 2.756 1.00 0.00 C ATOM 1411 C HIS A 93 -18.325 9.201 1.817 1.00 0.00 C ATOM 1412 O HIS A 93 -18.619 10.337 2.190 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.110 7.633 3.341 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.198 6.955 4.674 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -17.942 7.451 5.724 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.630 5.812 5.125 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -17.828 6.643 6.763 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.036 5.641 6.427 1.00 0.00 N ATOM 0 H HIS A 93 -18.626 5.969 2.284 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.145 8.286 3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.591 6.977 2.642 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.506 8.535 3.440 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -18.494 8.308 5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.979 5.156 4.566 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.302 6.779 7.724 1.00 0.00 H new ATOM 1427 N SER A 94 -17.867 8.935 0.597 1.00 0.00 N ATOM 1428 CA SER A 94 -17.675 9.989 -0.392 1.00 0.00 C ATOM 1429 C SER A 94 -18.744 11.068 -0.251 1.00 0.00 C ATOM 1430 O SER A 94 -18.454 12.262 -0.340 1.00 0.00 O ATOM 1431 CB SER A 94 -17.713 9.402 -1.805 1.00 0.00 C ATOM 1432 OG SER A 94 -17.199 10.321 -2.753 1.00 0.00 O ATOM 0 H SER A 94 -17.623 8.000 0.271 1.00 0.00 H new ATOM 0 HA SER A 94 -16.699 10.443 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.132 8.480 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.738 9.141 -2.066 1.00 0.00 H new ATOM 0 HG SER A 94 -16.527 10.892 -2.325 1.00 0.00 H new ATOM 1438 N THR A 95 -19.983 10.641 -0.028 1.00 0.00 N ATOM 1439 CA THR A 95 -21.095 11.569 0.125 1.00 0.00 C ATOM 1440 C THR A 95 -21.035 12.283 1.472 1.00 0.00 C ATOM 1441 O THR A 95 -20.880 13.503 1.533 1.00 0.00 O ATOM 1442 CB THR A 95 -22.451 10.847 0.001 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.529 10.166 -1.255 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.603 11.834 0.120 1.00 0.00 C ATOM 0 H THR A 95 -20.241 9.657 0.051 1.00 0.00 H new ATOM 0 HA THR A 95 -21.007 12.302 -0.677 1.00 0.00 H new ATOM 0 HB THR A 95 -22.528 10.123 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.393 9.708 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.550 11.301 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.558 12.331 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.528 12.578 -0.673 1.00 0.00 H new ATOM 1452 N VAL A 96 -21.157 11.516 2.549 1.00 0.00 N ATOM 1453 CA VAL A 96 -21.114 12.074 3.895 1.00 0.00 C ATOM 1454 C VAL A 96 -19.950 11.497 4.693 1.00 0.00 C ATOM 1455 O VAL A 96 -19.639 10.311 4.587 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.426 11.805 4.657 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.655 10.311 4.816 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.407 12.498 6.011 1.00 0.00 C ATOM 0 H VAL A 96 -21.287 10.505 2.516 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.979 13.150 3.786 1.00 0.00 H new ATOM 0 HB VAL A 96 -23.253 12.214 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.586 10.141 5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.716 9.846 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.827 9.873 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.341 12.297 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.571 12.121 6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.295 13.573 5.868 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.310 12.345 5.491 1.00 0.00 N ATOM 1469 CA ALA A 97 -18.180 11.919 6.309 1.00 0.00 C ATOM 1470 C ALA A 97 -18.593 10.826 7.288 1.00 0.00 C ATOM 1471 O ALA A 97 -17.930 9.793 7.395 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.594 13.107 7.058 1.00 0.00 C ATOM 0 H ALA A 97 -19.554 13.331 5.589 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.418 11.508 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.751 12.775 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.254 13.856 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.357 13.542 7.704 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.690 11.057 7.999 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.191 10.091 8.968 1.00 0.00 C ATOM 1480 C ASP A 98 -19.060 9.568 9.849 1.00 0.00 C ATOM 1481 O ASP A 98 -19.105 8.435 10.326 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.877 8.926 8.252 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.716 8.082 9.192 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.564 6.842 9.172 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -22.524 8.661 9.947 1.00 0.00 O ATOM 0 H ASP A 98 -20.250 11.906 7.922 1.00 0.00 H new ATOM 0 HA ASP A 98 -20.919 10.596 9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.510 9.315 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -20.121 8.298 7.781 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.046 10.402 10.059 1.00 0.00 N ATOM 1492 CA GLY A 99 -16.918 10.006 10.879 1.00 0.00 C ATOM 1493 C GLY A 99 -15.589 10.423 10.280 1.00 0.00 C ATOM 1494 O GLY A 99 -14.804 11.125 10.919 1.00 0.00 O ATOM 0 H GLY A 99 -17.986 11.345 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.021 10.448 11.870 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.930 8.924 11.010 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.335 9.990 9.050 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.091 10.321 8.364 1.00 0.00 C ATOM 1500 C LEU A 100 -13.711 11.780 8.601 1.00 0.00 C ATOM 1501 O LEU A 100 -14.575 12.630 8.816 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.226 10.055 6.864 1.00 0.00 C ATOM 1503 CG LEU A 100 -13.819 8.659 6.392 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.333 7.598 7.353 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -14.335 8.400 4.984 1.00 0.00 C ATOM 0 H LEU A 100 -15.974 9.409 8.507 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.302 9.688 8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.263 10.226 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.622 10.788 6.329 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.730 8.607 6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.033 6.611 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.914 7.771 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -15.421 7.650 7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -14.036 7.402 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -15.423 8.473 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.917 9.140 4.301 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.412 12.062 8.556 1.00 0.00 N ATOM 1518 CA VAL A 101 -11.918 13.418 8.761 1.00 0.00 C ATOM 1519 C VAL A 101 -12.651 14.411 7.869 1.00 0.00 C ATOM 1520 O VAL A 101 -12.839 15.572 8.235 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.406 13.512 8.483 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.116 13.252 7.011 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -9.870 14.871 8.907 1.00 0.00 C ATOM 0 H VAL A 101 -11.684 11.370 8.380 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.104 13.668 9.805 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.898 12.747 9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.043 13.323 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.463 12.254 6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.634 13.993 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.800 14.920 8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.382 15.654 8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.043 15.014 9.974 1.00 0.00 H new ATOM 1533 N THR A 102 -13.066 13.949 6.692 1.00 0.00 N ATOM 1534 CA THR A 102 -13.779 14.798 5.746 1.00 0.00 C ATOM 1535 C THR A 102 -14.258 13.995 4.542 1.00 0.00 C ATOM 1536 O THR A 102 -13.517 13.182 3.990 1.00 0.00 O ATOM 1537 CB THR A 102 -12.893 15.959 5.254 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.713 17.045 4.810 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.985 15.505 4.122 1.00 0.00 C ATOM 0 H THR A 102 -12.920 12.991 6.372 1.00 0.00 H new ATOM 0 HA THR A 102 -14.640 15.207 6.274 1.00 0.00 H new ATOM 0 HB THR A 102 -12.271 16.290 6.085 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.143 17.780 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.369 16.342 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.342 14.698 4.473 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.592 15.150 3.289 1.00 0.00 H new ATOM 1547 N THR A 103 -15.504 14.229 4.140 1.00 0.00 N ATOM 1548 CA THR A 103 -16.082 13.527 3.000 1.00 0.00 C ATOM 1549 C THR A 103 -15.058 13.347 1.887 1.00 0.00 C ATOM 1550 O THR A 103 -14.656 14.312 1.235 1.00 0.00 O ATOM 1551 CB THR A 103 -17.305 14.278 2.441 1.00 0.00 C ATOM 1552 OG1 THR A 103 -17.006 15.673 2.309 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.513 14.097 3.348 1.00 0.00 C ATOM 0 H THR A 103 -16.131 14.898 4.586 1.00 0.00 H new ATOM 0 HA THR A 103 -16.398 12.548 3.359 1.00 0.00 H new ATOM 0 HB THR A 103 -17.541 13.863 1.461 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.140 15.781 1.864 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.364 14.636 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.756 13.037 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.285 14.488 4.340 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.637 12.105 1.671 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.659 11.797 0.634 1.00 0.00 C ATOM 1563 C LEU A 104 -13.941 12.595 -0.635 1.00 0.00 C ATOM 1564 O LEU A 104 -14.891 12.306 -1.364 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.670 10.300 0.322 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.404 9.367 1.504 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.507 7.912 1.070 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.037 9.648 2.108 1.00 0.00 C ATOM 0 H LEU A 104 -14.958 11.295 2.201 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.673 12.077 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.640 10.045 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.922 10.104 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.161 9.553 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.315 7.263 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.508 7.717 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.772 7.712 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.865 8.975 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.266 9.491 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.998 10.680 2.457 1.00 0.00 H new ATOM 1580 N HIS A 105 -13.110 13.599 -0.894 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.268 14.437 -2.078 1.00 0.00 C ATOM 1582 C HIS A 105 -12.712 13.740 -3.316 1.00 0.00 C ATOM 1583 O HIS A 105 -13.465 13.277 -4.172 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.567 15.781 -1.875 1.00 0.00 C ATOM 1585 CG HIS A 105 -13.349 16.743 -1.034 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -14.193 17.694 -1.567 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -13.412 16.896 0.309 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -14.740 18.392 -0.588 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -14.284 17.927 0.561 1.00 0.00 N ATOM 0 H HIS A 105 -12.320 13.853 -0.300 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.333 14.611 -2.230 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.597 15.609 -1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -12.377 16.233 -2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -12.876 16.316 1.046 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -15.441 19.205 -0.707 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -14.538 18.277 1.485 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.388 13.672 -3.403 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.728 13.034 -4.537 1.00 0.00 C ATOM 1600 C TYR A 106 -9.901 11.837 -4.084 1.00 0.00 C ATOM 1601 O TYR A 106 -9.027 11.943 -3.224 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.836 14.040 -5.265 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.512 15.364 -5.540 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.541 15.461 -6.468 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -10.122 16.519 -4.871 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -12.162 16.669 -6.722 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.737 17.730 -5.119 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.757 17.800 -6.045 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.373 19.005 -6.294 1.00 0.00 O ATOM 0 H TYR A 106 -10.751 14.051 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.499 12.680 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.941 14.216 -4.669 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.510 13.606 -6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.861 14.577 -7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.324 16.468 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.960 16.727 -7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.421 18.618 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.970 19.700 -5.733 1.00 0.00 H new ATOM 1619 N PRO A 107 -10.181 10.667 -4.677 1.00 0.00 N ATOM 1620 CA PRO A 107 -9.474 9.424 -4.351 1.00 0.00 C ATOM 1621 C PRO A 107 -8.028 9.436 -4.838 1.00 0.00 C ATOM 1622 O PRO A 107 -7.107 9.119 -4.086 1.00 0.00 O ATOM 1623 CB PRO A 107 -10.278 8.354 -5.093 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.929 9.079 -6.220 1.00 0.00 C ATOM 1625 CD PRO A 107 -11.211 10.466 -5.711 1.00 0.00 C ATOM 0 HA PRO A 107 -9.411 9.260 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.632 7.556 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.018 7.892 -4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.278 9.109 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.849 8.581 -6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -11.133 11.209 -6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.216 10.545 -5.297 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.837 9.804 -6.101 1.00 0.00 N ATOM 1634 CA ALA A 108 -6.504 9.859 -6.687 1.00 0.00 C ATOM 1635 C ALA A 108 -6.500 10.691 -7.966 1.00 0.00 C ATOM 1636 O ALA A 108 -7.481 10.737 -8.708 1.00 0.00 O ATOM 1637 CB ALA A 108 -5.990 8.455 -6.967 1.00 0.00 C ATOM 0 H ALA A 108 -8.589 10.068 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.839 10.340 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.993 8.513 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.945 7.891 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.663 7.953 -7.662 1.00 0.00 H new